[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol

C12H18N2O — CID 102777296

IUPAC[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2ccccc2N)C1CO
InChIInChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyGQUGEAWOTDAMTP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777296) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777296
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2ccccc2N)C1CO
InChIInChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyGQUGEAWOTDAMTP-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-(2-aminophenyl)-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-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777389
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102777517
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 102777266
[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781715
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
[1-(3-methoxy-2-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786974
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777296) is [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2ccccc2N)C1CO.
What is the InChIKey of [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is GQUGEAWOTDAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3.
What are the key properties of [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).