[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol

C15H15BrFNO — CID 107230838

IUPAC[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-5-13(6-15(17)7-14)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2
InChIKeyCHQZVGDLMQALKP-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.37
Rot. Bonds5

About [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol

[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol (PubChem CID 107230838) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol
PubChem CID107230838
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-5-13(6-15(17)7-14)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2
InChIKeyCHQZVGDLMQALKP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
CID 79710689
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616722
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
4-[[[2-[(3-bromo-5-fluorophenyl)methyl]-3-hydroxypropyl]amino]methyl]benzoic acid
CID 122035341
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
N-[(3-bromo-5-fluorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 79699229
N-[(3-bromo-5-nitrophenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 103350496
1-(3-bromo-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79710421
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol (CID 107230838) is [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol is OCc1ccc(CNCc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is CHQZVGDLMQALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-14-5-13(6-15(17)7-14)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2.
What are the key properties of [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol?
[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 324.19 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).