(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

C20H25NO2 — CID 102167719

IUPAC(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1cccc([C@@](O)(c2ccccc2)[C@@H](C)N2CCCC2)c1
InChIInChI=1S/C20H25NO2/c1-16(21-13-6-7-14-21)20(22,17-9-4-3-5-10-17)18-11-8-12-19(15-18)23-2/h3-5,8-12,15-16,22H,6-7,13-14H2,1-2H3/t16-,20+/m1/s1
InChIKeyLIOQQXGRSSKDSS-UZLBHIALSA-N
MW311.43 g/mol
LogP3.42
Rot. Bonds5

About (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 102167719) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID102167719
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1cccc([C@@](O)(c2ccccc2)[C@@H](C)N2CCCC2)c1
InChIInChI=1S/C20H25NO2/c1-16(21-13-6-7-14-21)20(22,17-9-4-3-5-10-17)18-11-8-12-19(15-18)23-2/h3-5,8-12,15-16,22H,6-7,13-14H2,1-2H3/t16-,20+/m1/s1
InChIKeyLIOQQXGRSSKDSS-UZLBHIALSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol 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-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol
CID 70794232
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
CID 64527215
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(4-methoxyphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 23606947
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (CID 102167719) is (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is COc1cccc([C@@](O)(c2ccccc2)[C@@H](C)N2CCCC2)c1.
What is the InChIKey of (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is LIOQQXGRSSKDSS-UZLBHIALSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(21-13-6-7-14-21)20(22,17-9-4-3-5-10-17)18-11-8-12-19(15-18)23-2/h3-5,8-12,15-16,22H,6-7,13-14H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 102167719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).