N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C15H23ClN2 — CID 79541521

IUPACN-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NC(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-11(10-13-6-5-9-17-13)18-12(2)14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17-18H,5-6,9-10H2,1-2H3
InChIKeyHDEVFYCPSNSWEI-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541521) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541521
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NC(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-11(10-13-6-5-9-17-13)18-12(2)14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17-18H,5-6,9-10H2,1-2H3
InChIKeyHDEVFYCPSNSWEI-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79538021
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79541521) is N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is HDEVFYCPSNSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(10-13-6-5-9-17-13)18-12(2)14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17-18H,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).