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

C16H18ClNO — CID 118703223

IUPAC1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-12-2-4-13(5-3-12)10-16(18)15-8-6-14(11-17)7-9-15;/h2-9H,10-11,17H2,1H3;1H
InChIKeyRERBZCFNXNNUKB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.30
Rot. Bonds4

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

1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 118703223) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID118703223
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-12-2-4-13(5-3-12)10-16(18)15-8-6-14(11-17)7-9-15;/h2-9H,10-11,17H2,1H3;1H
InChIKeyRERBZCFNXNNUKB-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride (CID 118703223) is 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride is Cc1ccc(CC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is RERBZCFNXNNUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-12-2-4-13(5-3-12)10-16(18)15-8-6-14(11-17)7-9-15;/h2-9H,10-11,17H2,1H3;1H.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride?
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.30, 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-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 118703223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).