2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide

C17H19ClN2O — CID 81313304

IUPAC2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(13-6-8-16(18)9-7-13)20-17(21)10-14-4-2-3-5-15(14)11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyHMSUOJUVCPGUNK-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.22
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 81313304) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID81313304
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(13-6-8-16(18)9-7-13)20-17(21)10-14-4-2-3-5-15(14)11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyHMSUOJUVCPGUNK-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
CID 11616967
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8963788
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 81313304) is 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is HMSUOJUVCPGUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(13-6-8-16(18)9-7-13)20-17(21)10-14-4-2-3-5-15(14)11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 81313304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).