[5-(anilinomethyl)pyrrolidin-2-yl]methanol

C12H18N2O — CID 91618895

IUPAC[5-(anilinomethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCC(CNc2ccccc2)N1
InChIInChI=1S/C12H18N2O/c15-9-12-7-6-11(14-12)8-13-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2
InChIKeyQKHOEZHAJSTELR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.21
Rot. Bonds4

About [5-(anilinomethyl)pyrrolidin-2-yl]methanol

[5-(anilinomethyl)pyrrolidin-2-yl]methanol (PubChem CID 91618895) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [5-(anilinomethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[5-(anilinomethyl)pyrrolidin-2-yl]methanol
PubChem CID91618895
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[5-(anilinomethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCC(CNc2ccccc2)N1
InChIInChI=1S/C12H18N2O/c15-9-12-7-6-11(14-12)8-13-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2
InChIKeyQKHOEZHAJSTELR-UHFFFAOYSA-N
XLogP1.21
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [5-(anilinomethyl)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 [5-(anilinomethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [5-(anilinomethyl)pyrrolidin-2-yl]methanol (CID 91618895) is [5-(anilinomethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [5-(anilinomethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [5-(anilinomethyl)pyrrolidin-2-yl]methanol is OCC1CCC(CNc2ccccc2)N1.
What is the InChIKey of [5-(anilinomethyl)pyrrolidin-2-yl]methanol?
The InChIKey is QKHOEZHAJSTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-9-12-7-6-11(14-12)8-13-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2.
What are the key properties of [5-(anilinomethyl)pyrrolidin-2-yl]methanol?
[5-(anilinomethyl)pyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(anilinomethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 91618895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).