1-(4-aminophenyl)-2-(cyclopentylamino)ethanone

C13H18N2O — CID 82258201

IUPAC1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
SMILESNc1ccc(C(=O)CNC2CCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-11-7-5-10(6-8-11)13(16)9-15-12-3-1-2-4-12/h5-8,12,15H,1-4,9,14H2
InChIKeyLDVUVFFCGDHJFG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone

1-(4-aminophenyl)-2-(cyclopentylamino)ethanone (PubChem CID 82258201) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
PubChem CID82258201
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
SMILESNc1ccc(C(=O)CNC2CCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-11-7-5-10(6-8-11)13(16)9-15-12-3-1-2-4-12/h5-8,12,15H,1-4,9,14H2
InChIKeyLDVUVFFCGDHJFG-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-amino-5-[2-(cyclobutylamino)acetyl]benzonitrile;hydrochloride
CID 22765844
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913
2-[(4-aminocyclohexyl)amino]-1-phenylethanone
CID 54572830

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone (CID 82258201) is 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone is Nc1ccc(C(=O)CNC2CCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone?
The InChIKey is LDVUVFFCGDHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-7-5-10(6-8-11)13(16)9-15-12-3-1-2-4-12/h5-8,12,15H,1-4,9,14H2.
What are the key properties of 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone?
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(cyclopentylamino)ethanone is sourced from PubChem (CID 82258201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).