2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol

C14H22N2O — CID 83980872

IUPAC2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1cccc(CN2CCC(C(N)CO)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(7-11)8-16-6-5-13(9-16)14(15)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3
InChIKeyCJIWAPQJECKVPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol

2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 83980872) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID83980872
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1cccc(CN2CCC(C(N)CO)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(7-11)8-16-6-5-13(9-16)14(15)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3
InChIKeyCJIWAPQJECKVPP-UHFFFAOYSA-N
XLogP1.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol 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

2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 83980872) is 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol is Cc1cccc(CN2CCC(C(N)CO)C2)c1.
What is the InChIKey of 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CJIWAPQJECKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-2-4-12(7-11)8-16-6-5-13(9-16)14(15)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3.
What are the key properties of 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 83980872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).