[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H15Cl2NO — CID 3161761

IUPAC[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyDZYWUHVYUYHVFU-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds3

About [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 3161761) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID3161761
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyDZYWUHVYUYHVFU-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 3161761) is [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DZYWUHVYUYHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 3161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).