3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one

C18H21NO — CID 116598935

IUPAC3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
SMILESCc1cccc(C(=O)C(C)C(N)c2ccccc2)c1C
InChIInChI=1S/C18H21NO/c1-12-8-7-11-16(13(12)2)18(20)14(3)17(19)15-9-5-4-6-10-15/h4-11,14,17H,19H2,1-3H3
InChIKeyFJWWYTUPIOMARS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds4

About 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 116598935) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID116598935
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
SMILESCc1cccc(C(=O)C(C)C(N)c2ccccc2)c1C
InChIInChI=1S/C18H21NO/c1-12-8-7-11-16(13(12)2)18(20)14(3)17(19)15-9-5-4-6-10-15/h4-11,14,17H,19H2,1-3H3
InChIKeyFJWWYTUPIOMARS-UHFFFAOYSA-N
XLogP3.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
3-(2,3-dimethylphenyl)-3-oxo-2-phenylpropanenitrile
CID 43333825
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599000
3-amino-1-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
CID 174882127
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one (CID 116598935) is 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one is Cc1cccc(C(=O)C(C)C(N)c2ccccc2)c1C.
What is the InChIKey of 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is FJWWYTUPIOMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-8-7-11-16(13(12)2)18(20)14(3)17(19)15-9-5-4-6-10-15/h4-11,14,17H,19H2,1-3H3.
What are the key properties of 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 116598935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).