2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol

C15H15BrFNO — CID 61048867

IUPAC2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,11-4-2-6-13(17)8-11)18-14-7-3-5-12(16)9-14/h2-9,18-19H,10H2,1H3
InChIKeyCDYJPJVYRQIWAQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol

2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 61048867) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
PubChem CID61048867
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,11-4-2-6-13(17)8-11)18-14-7-3-5-12(16)9-14/h2-9,18-19H,10H2,1H3
InChIKeyCDYJPJVYRQIWAQ-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-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
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-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol (CID 61048867) is 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol is CC(CO)(Nc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is CDYJPJVYRQIWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-15(10-19,11-4-2-6-13(17)8-11)18-14-7-3-5-12(16)9-14/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol?
2-(3-bromoanilino)-2-(3-fluorophenyl)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-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61048867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).