2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol

C15H15BrFNO — CID 61048694

IUPAC2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,11-5-7-12(16)8-6-11)18-14-4-2-3-13(17)9-14/h2-9,18-19H,10H2,1H3
InChIKeyZNGSVDRBHMNSIK-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol

2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol (PubChem CID 61048694) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
PubChem CID61048694
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,11-5-7-12(16)8-6-11)18-14-4-2-3-13(17)9-14/h2-9,18-19H,10H2,1H3
InChIKeyZNGSVDRBHMNSIK-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61049185
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
CID 61049856
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol (CID 61048694) is 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol is CC(CO)(Nc1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol?
The InChIKey is ZNGSVDRBHMNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-15(10-19,11-5-7-12(16)8-6-11)18-14-4-2-3-13(17)9-14/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol?
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol has a molecular weight of 324.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol is sourced from PubChem (CID 61048694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).