1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one

C16H23NO — CID 116559120

IUPAC1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)CNC2CCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-7-8-14(9-13(12)2)10-16(18)11-17-15-5-3-4-6-15/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyAVMMTAIZTMAEOI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds5

About 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one

1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one (PubChem CID 116559120) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
PubChem CID116559120
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)CNC2CCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-7-8-14(9-13(12)2)10-16(18)11-17-15-5-3-4-6-15/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyAVMMTAIZTMAEOI-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 64929808
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132610239

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one (CID 116559120) is 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one is Cc1ccc(CC(=O)CNC2CCCC2)cc1C.
What is the InChIKey of 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one?
The InChIKey is AVMMTAIZTMAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-14(9-13(12)2)10-16(18)11-17-15-5-3-4-6-15/h7-9,15,17H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one?
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 116559120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).