1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol

C14H20ClNO2 — CID 62629485

IUPAC1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCC1CCCN1CCC(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c15-13-6-2-1-5-12(13)14(18)7-9-16-8-3-4-11(16)10-17/h1-2,5-6,11,14,17-18H,3-4,7-10H2
InChIKeyVBFBMNRBOLPHAF-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol

1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 62629485) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID62629485
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCC1CCCN1CCC(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c15-13-6-2-1-5-12(13)14(18)7-9-16-8-3-4-11(16)10-17/h1-2,5-6,11,14,17-18H,3-4,7-10H2
InChIKeyVBFBMNRBOLPHAF-UHFFFAOYSA-N
XLogP2.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol 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

3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
CID 62629452
1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62631035
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
CID 62630518
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol (CID 62629485) is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol is OCC1CCCN1CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is VBFBMNRBOLPHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-6-2-1-5-12(13)14(18)7-9-16-8-3-4-11(16)10-17/h1-2,5-6,11,14,17-18H,3-4,7-10H2.
What are the key properties of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 62629485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).