5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one

C19H23NO — CID 116570888

IUPAC5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
SMILESCc1ccc(CC(=O)CCC(N)c2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-14-8-9-16(12-15(14)2)13-18(21)10-11-19(20)17-6-4-3-5-7-17/h3-9,12,19H,10-11,13,20H2,1-2H3
InChIKeyVIEFPVVLPHMOQA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds6

About 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one

5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one (PubChem CID 116570888) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
PubChem CID116570888
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
SMILESCc1ccc(CC(=O)CCC(N)c2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-14-8-9-16(12-15(14)2)13-18(21)10-11-19(20)17-6-4-3-5-7-17/h3-9,12,19H,10-11,13,20H2,1-2H3
InChIKeyVIEFPVVLPHMOQA-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116553095
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4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 116570826
4-amino-1,4-diphenylbutan-1-one
CID 116570833
5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
CID 107311348
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
1-(3,4-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 62901853
1-(3,4-dimethylphenyl)-5-methylhex-5-en-2-one
CID 114473536
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
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CID 62716544

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one?
The IUPAC name of 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one (CID 116570888) is 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one.
What is the SMILES notation for 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one?
The canonical SMILES for 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one is Cc1ccc(CC(=O)CCC(N)c2ccccc2)cc1C.
What is the InChIKey of 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one?
The InChIKey is VIEFPVVLPHMOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-9-16(12-15(14)2)13-18(21)10-11-19(20)17-6-4-3-5-7-17/h3-9,12,19H,10-11,13,20H2,1-2H3.
What are the key properties of 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one?
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one has a molecular weight of 281.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one is sourced from PubChem (CID 116570888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).