N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine

C15H14BrClFN — CID 107232978

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
SMILESFc1ccc(CNCc2ccc(CCl)cc2)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c16-15-7-14(18)6-5-13(15)10-19-9-12-3-1-11(8-17)2-4-12/h1-7,19H,8-10H2
InChIKeyLCBFDMDWZOHHNB-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.62
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine

N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine (PubChem CID 107232978) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
PubChem CID107232978
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
SMILESFc1ccc(CNCc2ccc(CCl)cc2)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c16-15-7-14(18)6-5-13(15)10-19-9-12-3-1-11(8-17)2-4-12/h1-7,19H,8-10H2
InChIKeyLCBFDMDWZOHHNB-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 103792992
N-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)aniline
CID 65023906
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
1-(2-bromo-4-fluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455628
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 43220838
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
1-(2-bromo-4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78971573
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine (CID 107232978) is N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine is Fc1ccc(CNCc2ccc(CCl)cc2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine?
The InChIKey is LCBFDMDWZOHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-15-7-14(18)6-5-13(15)10-19-9-12-3-1-11(8-17)2-4-12/h1-7,19H,8-10H2.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine has a molecular weight of 342.64 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine is sourced from PubChem (CID 107232978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).