2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone

C16H23NO2 — CID 96677935

IUPAC2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCC2)c(C)c1C
InChIInChI=1S/C16H23NO2/c1-11-12(2)16(19-3)9-8-14(11)15(18)10-17-13-6-4-5-7-13/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeyPGXFLYMOLZHWHQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone

2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone (PubChem CID 96677935) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
PubChem CID96677935
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCC2)c(C)c1C
InChIInChI=1S/C16H23NO2/c1-11-12(2)16(19-3)9-8-14(11)15(18)10-17-13-6-4-5-7-13/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeyPGXFLYMOLZHWHQ-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978847
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone (CID 96677935) is 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone is COc1ccc(C(=O)CNC2CCCC2)c(C)c1C.
What is the InChIKey of 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The InChIKey is PGXFLYMOLZHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-12(2)16(19-3)9-8-14(11)15(18)10-17-13-6-4-5-7-13/h8-9,13,17H,4-7,10H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 96677935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).