[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H16ClNO — CID 66059643

IUPAC[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCNC1
InChIInChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)7-12(9-15)5-6-14-8-12/h1-4,14-15H,5-9H2
InChIKeyANOGHZKHHWROJH-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.85
Rot. Bonds3

About [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol

[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66059643) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66059643
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCNC1
InChIInChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)7-12(9-15)5-6-14-8-12/h1-4,14-15H,5-9H2
InChIKeyANOGHZKHHWROJH-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 66059643) is [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1(Cc2ccccc2Cl)CCNC1.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is ANOGHZKHHWROJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-4-2-1-3-10(11)7-12(9-15)5-6-14-8-12/h1-4,14-15H,5-9H2.
What are the key properties of [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66059643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).