1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine

C14H11BrF3N — CID 62049325

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
SMILESFc1ccc(F)c(CNCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrF3N/c15-12-5-9(1-3-14(12)18)7-19-8-10-6-11(16)2-4-13(10)17/h1-6,19H,7-8H2
InChIKeyRCJVZQMYRWQUIZ-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.16
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine

1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine (PubChem CID 62049325) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
PubChem CID62049325
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
SMILESFc1ccc(F)c(CNCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrF3N/c15-12-5-9(1-3-14(12)18)7-19-8-10-6-11(16)2-4-13(10)17/h1-6,19H,7-8H2
InChIKeyRCJVZQMYRWQUIZ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]benzene-1,2-diol
CID 54893715
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-bromo-3-methylphenyl)methanamine
CID 66472819
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60876728

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine (CID 62049325) is 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine is Fc1ccc(F)c(CNCc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine?
The InChIKey is RCJVZQMYRWQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-12-5-9(1-3-14(12)18)7-19-8-10-6-11(16)2-4-13(10)17/h1-6,19H,7-8H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine?
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 62049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).