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

C14H11BrF3N — CID 115767644

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
SMILESFc1cc(F)cc(CNCc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrF3N/c15-14-2-1-11(16)5-10(14)8-19-7-9-3-12(17)6-13(18)4-9/h1-6,19H,7-8H2
InChIKeyUNCBZBJAZOCBBZ-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.16
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine (PubChem CID 115767644) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
PubChem CID115767644
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
SMILESFc1cc(F)cc(CNCc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrF3N/c15-14-2-1-11(16)5-10(14)8-19-7-9-3-12(17)6-13(18)4-9/h1-6,19H,7-8H2
InChIKeyUNCBZBJAZOCBBZ-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 N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)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

1-(3-bromo-5-fluorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanamine
CID 79710689
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]benzene-1,2-diol
CID 54893715
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
CID 113454135
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66398559
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 60962410
1-(2-bromo-5-fluorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]methanamine
CID 106936593
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine (CID 115767644) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine is Fc1cc(F)cc(CNCc2cc(F)ccc2Br)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine?
The InChIKey is UNCBZBJAZOCBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-14-2-1-11(16)5-10(14)8-19-7-9-3-12(17)6-13(18)4-9/h1-6,19H,7-8H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)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 N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 115767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).