(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol

C20H24FNO3 — CID 34191043

IUPAC(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESCOc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)c2ccccc2F)c1
InChIInChI=1S/C20H24FNO3/c1-24-14-9-10-20(25-2)16(12-14)18-8-5-11-22(18)13-19(23)15-6-3-4-7-17(15)21/h3-4,6-7,9-10,12,18-19,23H,5,8,11,13H2,1-2H3/t18-,19+/m0/s1
InChIKeyUGHNMSXPWFTCHD-RBUKOAKNSA-N
MW345.41 g/mol
LogP3.71
Rot. Bonds6

About (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol

(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 34191043) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol
PubChem CID34191043
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESCOc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)c2ccccc2F)c1
InChIInChI=1S/C20H24FNO3/c1-24-14-9-10-20(25-2)16(12-14)18-8-5-11-22(18)13-19(23)15-6-3-4-7-17(15)21/h3-4,6-7,9-10,12,18-19,23H,5,8,11,13H2,1-2H3/t18-,19+/m0/s1
InChIKeyUGHNMSXPWFTCHD-RBUKOAKNSA-N
XLogP3.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51927197
(1S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-thiophen-2-ylethanol
CID 93240301
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
CID 110899499
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100844004
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
CID 124788035
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
CID 55462529
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol (CID 34191043) is (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol is COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)c2ccccc2F)c1.
What is the InChIKey of (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is UGHNMSXPWFTCHD-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-14-9-10-20(25-2)16(12-14)18-8-5-11-22(18)13-19(23)15-6-3-4-7-17(15)21/h3-4,6-7,9-10,12,18-19,23H,5,8,11,13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol?
(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 345.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 34191043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).