3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C15H21ClN2O — CID 109013303

IUPAC3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C15H21ClN2O/c16-14-5-3-4-13(12-14)6-8-17-9-7-15(19)18-10-1-2-11-18/h3-5,12,17H,1-2,6-11H2
InChIKeyAROIJJIJUKLUHY-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.48
Rot. Bonds6

About 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013303) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013303
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C15H21ClN2O/c16-14-5-3-4-13(12-14)6-8-17-9-7-15(19)18-10-1-2-11-18/h3-5,12,17H,1-2,6-11H2
InChIKeyAROIJJIJUKLUHY-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
3-[2-(3-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032811
3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013807
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
1-(4-benzylpiperazin-1-yl)-3-[2-(4-chlorophenyl)ethylamino]propan-1-one
CID 109026849
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111357730
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
3-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 103263214
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 109013303) is 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNCCc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AROIJJIJUKLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-5-3-4-13(12-14)6-8-17-9-7-15(19)18-10-1-2-11-18/h3-5,12,17H,1-2,6-11H2.
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).