CAS
90389-40-5 Purity
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90389-40-5 Purity
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[(3-Fluorophenyl)methyl](propan-2-yl)amine
CAS
90389-87-0
Catalog Number
ACM90389870
Category
Other Products
Molecular Weight
167.223263 [g/mol]
Molecular Formula
C10H14FN
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Specification
Synonyms
Benzylamine der, AIDS011078, MolPort-004-318-352, AIDS-011078, CID457579, 90389-43-8 (HYDROCHLORIDE), Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-, EN300-32096, 90389-87-0
IUPAC Name
N-[(3-fluorophenyl)methyl]propan-2-amine
Canonical SMILES
CC(C)NCC1=CC(=CC=C1)F
InChI Key
LULJUYVORLDSFI-UHFFFAOYSA-N
Exact Mass
167.11100
H-Bond Acceptor
2
H-Bond Donor
1
What is the PubChem CID of the compound?
The PubChem CID of the compound is 457579.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H14FN.
What is the CAS number of the compound?
The CAS number of the compound is 90389-87-0.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-[(3-fluorophenyl)methyl]propan-2-amine.
What is the computed InChI of the compound?
The computed InChI of the compound is InChI=1S/C10H14FN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3.
What is the molecular weight of the compound?
The molecular weight of the compound is 167.22 g/mol.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.5.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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