[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

C15H23ClN2O — CID 102777829

IUPAC[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC(N)C(c1cccc(Cl)c1)N1CCC(C)C1CO
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(14(10)9-19)15(11(2)17)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15,19H,6-7,9,17H2,1-2H3
InChIKeyKPGVFDDXGKHFRI-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.43
Rot. Bonds4

About [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777829) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777829
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC(N)C(c1cccc(Cl)c1)N1CCC(C)C1CO
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(14(10)9-19)15(11(2)17)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15,19H,6-7,9,17H2,1-2H3
InChIKeyKPGVFDDXGKHFRI-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol 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-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764643
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
CID 62330118
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (CID 102777829) is [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol is CC(N)C(c1cccc(Cl)c1)N1CCC(C)C1CO.
What is the InChIKey of [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is KPGVFDDXGKHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-6-7-18(14(10)9-19)15(11(2)17)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15,19H,6-7,9,17H2,1-2H3.
What are the key properties of [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 282.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).