1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol

C18H20BrNO — CID 82957088

IUPAC1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H20BrNO/c1-13(21)17-8-7-16(19)11-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,13,15,21H,9-10,12H2,1H3
InChIKeyYEVNFNSLYFXPNK-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.50
Rot. Bonds3

About 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol

1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 82957088) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID82957088
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H20BrNO/c1-13(21)17-8-7-16(19)11-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,13,15,21H,9-10,12H2,1H3
InChIKeyYEVNFNSLYFXPNK-UHFFFAOYSA-N
XLogP4.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
4-[5-bromo-2-(1-hydroxyethyl)phenyl]morpholine-2-carbonitrile
CID 82971166
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 78940951
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970351
(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368910
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 82970938
4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
CID 62589445
5-[(4-bromobenzoyl)amino]-2-[(3R)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070134
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol (CID 82957088) is 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1ccc(Br)cc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is YEVNFNSLYFXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13(21)17-8-7-16(19)11-18(17)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,13,15,21H,9-10,12H2,1H3.
What are the key properties of 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol?
1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 346.27 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 82957088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).