2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol

C15H15BrFNO — CID 81002416

IUPAC2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-6-3-12(9-15(14)17)10-18-13-4-1-11(2-5-13)7-8-19/h1-6,9,18-19H,7-8,10H2
InChIKeyJVJLNUYWYFNLHW-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol

2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol (PubChem CID 81002416) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
PubChem CID81002416
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-6-3-12(9-15(14)17)10-18-13-4-1-11(2-5-13)7-8-19/h1-6,9,18-19H,7-8,10H2
InChIKeyJVJLNUYWYFNLHW-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
CID 79891958
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
4-[(4-bromo-3-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788315
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol (CID 81002416) is 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol is OCCc1ccc(NCc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol?
The InChIKey is JVJLNUYWYFNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-14-6-3-12(9-15(14)17)10-18-13-4-1-11(2-5-13)7-8-19/h1-6,9,18-19H,7-8,10H2.
What are the key properties of 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol?
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol has a molecular weight of 324.19 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol is sourced from PubChem (CID 81002416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).