[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol

C15H14BrF2NO — CID 63077747

IUPAC[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
SMILESCN(Cc1ccccc1Br)c1c(F)cc(CO)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3
InChIKeyJQBOBWJRHPMHSJ-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.86
Rot. Bonds4

About [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol

[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol (PubChem CID 63077747) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
PubChem CID63077747
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
SMILESCN(Cc1ccccc1Br)c1c(F)cc(CO)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3
InChIKeyJQBOBWJRHPMHSJ-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
CID 81283184
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 63075487
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
CID 63786064
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol (CID 63077747) is [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol is CN(Cc1ccccc1Br)c1c(F)cc(CO)cc1F.
What is the InChIKey of [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol?
The InChIKey is JQBOBWJRHPMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3.
What are the key properties of [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol?
[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol has a molecular weight of 342.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63077747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).