[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol

C13H20N2O2 — CID 102777389

IUPAC[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(N2CCC(C)C2CO)c1N
InChIInChI=1S/C13H20N2O2/c1-9-6-7-15(11(9)8-16)10-4-3-5-12(17-2)13(10)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyXXMQWLUBBUNEQW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds3

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

[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777389) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777389
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(N2CCC(C)C2CO)c1N
InChIInChI=1S/C13H20N2O2/c1-9-6-7-15(11(9)8-16)10-4-3-5-12(17-2)13(10)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyXXMQWLUBBUNEQW-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2-amino-3-methoxyphenyl)-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-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781715
[1-(3-methoxy-2-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786974
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 113392728
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
2-(2,5-dimethylmorpholin-4-yl)-6-methoxyaniline
CID 113392523
(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784891
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102777517
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777389) is [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol is COc1cccc(N2CCC(C)C2CO)c1N.
What is the InChIKey of [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is XXMQWLUBBUNEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-7-15(11(9)8-16)10-4-3-5-12(17-2)13(10)14/h3-5,9,11,16H,6-8,14H2,1-2H3.
What are the key properties of [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).