1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol

C15H22BrNO — CID 62619666

IUPAC1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-2-14-4-3-10-17(14)11-9-15(18)12-5-7-13(16)8-6-12/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeyOAINMQQSBPATDE-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol

1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol (PubChem CID 62619666) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
PubChem CID62619666
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-2-14-4-3-10-17(14)11-9-15(18)12-5-7-13(16)8-6-12/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeyOAINMQQSBPATDE-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
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CID 104692074
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
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1-(4-bromophenyl)-4-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 54885784
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol (CID 62619666) is 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol is CCC1CCCN1CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is OAINMQQSBPATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-14-4-3-10-17(14)11-9-15(18)12-5-7-13(16)8-6-12/h5-8,14-15,18H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol?
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 62619666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).