4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one

C18H21NO — CID 116553095

IUPAC4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
SMILESCc1ccc(CC(=O)CC(N)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO/c1-13-8-9-15(10-14(13)2)11-17(20)12-18(19)16-6-4-3-5-7-16/h3-10,18H,11-12,19H2,1-2H3
InChIKeyVFOJTVRHASPZNA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds5

About 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one

4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one (PubChem CID 116553095) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
PubChem CID116553095
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
SMILESCc1ccc(CC(=O)CC(N)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO/c1-13-8-9-15(10-14(13)2)11-17(20)12-18(19)16-6-4-3-5-7-16/h3-10,18H,11-12,19H2,1-2H3
InChIKeyVFOJTVRHASPZNA-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415
4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
CID 116552960
N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 146176829
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-amino-5-methyl-1-phenylhex-5-en-3-one
CID 116553116
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one (CID 116553095) is 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one is Cc1ccc(CC(=O)CC(N)c2ccccc2)cc1C.
What is the InChIKey of 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one?
The InChIKey is VFOJTVRHASPZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-8-9-15(10-14(13)2)11-17(20)12-18(19)16-6-4-3-5-7-16/h3-10,18H,11-12,19H2,1-2H3.
What are the key properties of 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one?
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 116553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).