(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine

C13H10BrClFN — CID 43248319

IUPAC(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrClFN/c14-10-5-9(6-12(16)7-10)13(17)8-1-3-11(15)4-2-8/h1-7,13H,17H2
InChIKeyMOOMBBUACFEIRT-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine

(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine (PubChem CID 43248319) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine
PubChem CID43248319
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrClFN/c14-10-5-9(6-12(16)7-10)13(17)8-1-3-11(15)4-2-8/h1-7,13H,17H2
InChIKeyMOOMBBUACFEIRT-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-fluorophenyl)-(4-chlorophenyl)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

(4-Chlorophenyl)(phenyl)methanamine
CID 409810
(4-Chlorophenyl)(4-fluorophenyl)methanamine
CID 4455529
(4-Chlorophenyl)(3-fluorophenyl)methanamine
CID 24688612
(4-Chlorophenyl)(2-fluorophenyl)methanamine
CID 24689178
3-Bromo-4-chlorobenzylamine
CID 57813392
(4-Chlorophenyl)(phenyl)methanamine, (S)-
CID 736032
(4-Bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride
CID 45791636
(3-Chlorophenyl)(3-fluorophenyl)methanamine
CID 60818087
(3-Chlorophenyl)(2-fluorophenyl)methanamine
CID 62502297
(3-Chloro-2-fluorophenyl)(phenyl)methanamine
CID 64713106
Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-
CID 736033
(2-Chlorophenyl)(4-fluorophenyl)methanamine
CID 24688739

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine (CID 43248319) is (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The InChIKey is MOOMBBUACFEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-10-5-9(6-12(16)7-10)13(17)8-1-3-11(15)4-2-8/h1-7,13H,17H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine?
(3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine has a molecular weight of 314.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 43248319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).