1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone

C17H24N2O — CID 104528687

IUPAC1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2C2CCCC2)cc1N
InChIInChI=1S/C17H24N2O/c1-12(20)15-9-8-14(11-16(15)18)19-10-4-7-17(19)13-5-2-3-6-13/h8-9,11,13,17H,2-7,10,18H2,1H3
InChIKeySVWBSKUAICYQEY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.63
Rot. Bonds3

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

1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 104528687) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID104528687
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2C2CCCC2)cc1N
InChIInChI=1S/C17H24N2O/c1-12(20)15-9-8-14(11-16(15)18)19-10-4-7-17(19)13-5-2-3-6-13/h8-9,11,13,17H,2-7,10,18H2,1H3
InChIKeySVWBSKUAICYQEY-UHFFFAOYSA-N
XLogP3.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727707
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727692
1-(4-acetyl-3-aminophenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194527
1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 104528423
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobenzamide
CID 82751006
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline
CID 83004516
1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-nitrophenyl]ethanone
CID 104613698
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)benzenecarbothioamide
CID 62948305
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone (CID 104528687) is 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCCC2C2CCCC2)cc1N.
What is the InChIKey of 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is SVWBSKUAICYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(20)15-9-8-14(11-16(15)18)19-10-4-7-17(19)13-5-2-3-6-13/h8-9,11,13,17H,2-7,10,18H2,1H3.
What are the key properties of 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone?
1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 104528687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).