1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one

C16H16ClNO — CID 106871178

IUPAC1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
SMILESCc1ccc(CC(=O)C(N)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11-7-8-13(14(17)9-11)10-15(19)16(18)12-5-3-2-4-6-12/h2-9,16H,10,18H2,1H3
InChIKeyUGTFIXLANUGLSL-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.46
Rot. Bonds4

About 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one

1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one (PubChem CID 106871178) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
PubChem CID106871178
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
SMILESCc1ccc(CC(=O)C(N)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11-7-8-13(14(17)9-11)10-15(19)16(18)12-5-3-2-4-6-12/h2-9,16H,10,18H2,1H3
InChIKeyUGTFIXLANUGLSL-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
CID 116551306
3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
CID 106867161
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
5-amino-1-(2-chloro-4-methylphenyl)hexan-2-one
CID 106871241
2-[(2-chloro-4-methylphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 106865391
4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
CID 116599033
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
CID 105412057
1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-one
CID 106865329
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one?
The IUPAC name of 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one (CID 106871178) is 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one is Cc1ccc(CC(=O)C(N)c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one?
The InChIKey is UGTFIXLANUGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-7-8-13(14(17)9-11)10-15(19)16(18)12-5-3-2-4-6-12/h2-9,16H,10,18H2,1H3.
What are the key properties of 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one?
1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one has a molecular weight of 273.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 106871178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).