1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride

C20H25ClFNO2 — CID 3066416

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H24FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17,20,23H,5-6,11-12,14H2,1H3;1H
InChIKeyUDFRDBQFARLRAI-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.17
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride

1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3066416) has the molecular formula C20H25ClFNO2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3066416
Molecular FormulaC20H25ClFNO2
Molecular Weight365.88 g/mol
Exact Mass365.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESCOc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H24FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17,20,23H,5-6,11-12,14H2,1H3;1H
InChIKeyUDFRDBQFARLRAI-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 82092193
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
CID 44657642
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553272
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride (CID 3066416) is 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride is COc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is UDFRDBQFARLRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2.ClH/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15;/h2-4,7-10,13,17,20,23H,5-6,11-12,14H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3066416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).