N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine

C15H14BrF2N — CID 115876137

IUPACN-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrF2N/c1-10-2-3-11(6-13(10)16)8-19-9-12-4-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3
InChIKeyXCNCPMGDIWDAOL-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.33
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine

N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine (PubChem CID 115876137) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
PubChem CID115876137
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrF2N/c1-10-2-3-11(6-13(10)16)8-19-9-12-4-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3
InChIKeyXCNCPMGDIWDAOL-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 113344499
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652761
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine (CID 115876137) is N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine is Cc1ccc(CNCc2ccc(F)c(F)c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine?
The InChIKey is XCNCPMGDIWDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10-2-3-11(6-13(10)16)8-19-9-12-4-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine?
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine has a molecular weight of 326.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 115876137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).