1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride

C15H15Cl2NO — CID 53407120

IUPAC1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO.ClH/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13;/h1-8H,9-10,17H2;1H
InChIKeyVWPSYOPTCHOCIR-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.65
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride

1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride (PubChem CID 53407120) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
PubChem CID53407120
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO.ClH/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13;/h1-8H,9-10,17H2;1H
InChIKeyVWPSYOPTCHOCIR-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride (CID 53407120) is 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride is Cl.NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride?
The InChIKey is VWPSYOPTCHOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO.ClH/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13;/h1-8H,9-10,17H2;1H.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride?
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride has a molecular weight of 296.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 53407120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).