CAS
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3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-propanamine
Catalog Number
ACMA00003061
Category
Phenols
Molecular Weight
259.32
Molecular Formula
C10H10N2O3
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Specification
Hazard Statements
H302
RIDADR
UN 3077 9 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C16H18FNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 259.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H18FNO/c1-19-15-8-4-13(5-9-15)16(10-11-18)12-2-6-14(17)7-3-12/h2-9,16H,10-11,18H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is IYOIETVLDHFHQD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=CC=C(C=C1)C(CCN)C2=CC=C(C=C2)F.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 3.5.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 3 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 5 rotatable bond count.
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