2-Chloro-N-[(4-methoxyphenyl)methyl]aniline

• Catalog Number: ACMA00002443
• Category: Ethers
• Molecular Weight: 247.72
• Molecular Formula: C₁₄H₁₂O₄
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C14H14ClNO.

What are the synonyms of the compound?

The synonyms are 2-Chloro-N-(4-methoxybenzyl)aniline, 356536-88-4, and Oprea1_101302.

What is the molecular weight of the compound?

The molecular weight is 247.72 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-chloro-N-[(4-methoxyphenyl)methyl]aniline.

What is the InChI code of the compound?

The InChI code is InChI=1S/C14H14ClNO/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3.

What is the InChIKey of the compound?

The InChIKey is RFAAXJJMIANGOU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC=C(C=C1)CNC2=CC=CC=C2Cl.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.