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

C13H19NO — CID 155141493

IUPAC1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCc1cccc(C(C)(O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-5-3-6-11(9-10)13(2,15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyLEBXMCHKLSVENI-UEWDXFNNSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds2

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

1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 155141493) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID155141493
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCc1cccc(C(C)(O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-5-3-6-11(9-10)13(2,15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyLEBXMCHKLSVENI-UEWDXFNNSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-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-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
1-[(2S)-pyrrolidin-2-yl]-1-(2,4,6-tritert-butylphenyl)ethanol
CID 138485654
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 155141493) is 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol is Cc1cccc(C(C)(O)[C@@H]2CCCN2)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is LEBXMCHKLSVENI-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-6-11(9-10)13(2,15)12-7-4-8-14-12/h3,5-6,9,12,14-15H,4,7-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155141493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).