(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol

C14H19BrFNO2 — CID 124618147

IUPAC(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFNO2/c1-19-9-13(18)8-17-4-2-3-14(17)10-5-11(15)7-12(16)6-10/h5-7,13-14,18H,2-4,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyAMROEGMIGBPFAZ-KGLIPLIRSA-N
MW332.21 g/mol
LogP2.73
Rot. Bonds5

About (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol

(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 124618147) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
PubChem CID124618147
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFNO2/c1-19-9-13(18)8-17-4-2-3-14(17)10-5-11(15)7-12(16)6-10/h5-7,13-14,18H,2-4,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyAMROEGMIGBPFAZ-KGLIPLIRSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120852117
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51963960
1-[(2R)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 124616979
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 47053396
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159
(2S)-1-[(2S)-2-(furan-2-yl)azepan-1-yl]-3-methoxypropan-2-ol
CID 124616125
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol (CID 124618147) is (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol is COC[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1.
What is the InChIKey of (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is AMROEGMIGBPFAZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-19-9-13(18)8-17-4-2-3-14(17)10-5-11(15)7-12(16)6-10/h5-7,13-14,18H,2-4,8-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 332.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 124618147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).