(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine

C13H10Br2FN — CID 79746837

IUPAC(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C13H10Br2FN/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7,13H,17H2
InChIKeyKRYAZVYIAMCJKC-UHFFFAOYSA-N
MW359.04 g/mol
LogP4.40
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine (PubChem CID 79746837) has the molecular formula C13H10Br2FN and a molecular weight of 359.04 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
PubChem CID79746837
Molecular FormulaC13H10Br2FN
Molecular Weight359.04 g/mol
Exact Mass356.92
IUPAC Name(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C13H10Br2FN/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7,13H,17H2
InChIKeyKRYAZVYIAMCJKC-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.04
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-fluorophenyl)-(2-bromophenyl)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

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
[(3-bromo-4-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105264062
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine (CID 79746837) is (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine is NC(c1ccc(F)c(Br)c1)c1ccccc1Br.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine?
The InChIKey is KRYAZVYIAMCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FN/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7,13H,17H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine?
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine has a molecular weight of 359.04 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine is sourced from PubChem (CID 79746837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).