1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone

C15H22N2O — CID 104528885

IUPAC1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C2CCCC2)cc1N
InChIInChI=1S/C15H22N2O/c1-10(12-5-3-4-6-12)17-13-7-8-14(11(2)18)15(16)9-13/h7-10,12,17H,3-6,16H2,1-2H3
InChIKeyBTTSJDLRWJPMNJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone

1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone (PubChem CID 104528885) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
PubChem CID104528885
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C2CCCC2)cc1N
InChIInChI=1S/C15H22N2O/c1-10(12-5-3-4-6-12)17-13-7-8-14(11(2)18)15(16)9-13/h7-10,12,17H,3-6,16H2,1-2H3
InChIKeyBTTSJDLRWJPMNJ-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.46
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-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
1-[2-amino-4-(oxan-4-ylamino)phenyl]ethanone
CID 113423204
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
CID 114115332
2-amino-4-bromo-5-(1-cyclopentylethylamino)benzoic acid
CID 114278326
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
1-[2-amino-4-[(1,1-dioxothian-3-yl)amino]phenyl]ethanone
CID 104528875
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
1-N-(1-cyclopropylethyl)-4-nitrobenzene-1,3-diamine
CID 106748983
4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 43781056

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone (CID 104528885) is 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone is CC(=O)c1ccc(NC(C)C2CCCC2)cc1N.
What is the InChIKey of 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone?
The InChIKey is BTTSJDLRWJPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(12-5-3-4-6-12)17-13-7-8-14(11(2)18)15(16)9-13/h7-10,12,17H,3-6,16H2,1-2H3.
What are the key properties of 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone?
1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone is sourced from PubChem (CID 104528885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).