(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol

C16H24FNO2 — CID 95626124

IUPAC(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-2-20-12-16(19)11-18-8-4-7-15(18)10-13-5-3-6-14(17)9-13/h3,5-6,9,15-16,19H,2,4,7-8,10-12H2,1H3/t15-,16-/m1/s1
InChIKeyAQRVZPHFACYQFZ-HZPDHXFCSA-N
MW281.37 g/mol
LogP2.23
Rot. Bonds7

About (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol

(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 95626124) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
PubChem CID95626124
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-2-20-12-16(19)11-18-8-4-7-15(18)10-13-5-3-6-14(17)9-13/h3,5-6,9,15-16,19H,2,4,7-8,10-12H2,1H3/t15-,16-/m1/s1
InChIKeyAQRVZPHFACYQFZ-HZPDHXFCSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-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-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339580
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774
5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid
CID 79418064
N-[(2-fluorophenyl)methyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-methylacetamide
CID 55827853
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol (CID 95626124) is (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol is CCOC[C@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is AQRVZPHFACYQFZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-20-12-16(19)11-18-8-4-7-15(18)10-13-5-3-6-14(17)9-13/h3,5-6,9,15-16,19H,2,4,7-8,10-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol?
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95626124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).