(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine

C14H11Br2F2N — CID 65307701

IUPAC(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cc(F)c(Br)cc1F
InChIInChI=1S/C14H11Br2F2N/c1-7-2-3-8(15)4-9(7)14(19)10-5-13(18)11(16)6-12(10)17/h2-6,14H,19H2,1H3
InChIKeyGOGDGBBQDILBRP-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.85
Rot. Bonds2

About (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine

(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine (PubChem CID 65307701) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
PubChem CID65307701
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cc(F)c(Br)cc1F
InChIInChI=1S/C14H11Br2F2N/c1-7-2-3-8(15)4-9(7)14(19)10-5-13(18)11(16)6-12(10)17/h2-6,14H,19H2,1H3
InChIKeyGOGDGBBQDILBRP-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)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

(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine (CID 65307701) is (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine is Cc1ccc(Br)cc1C(N)c1cc(F)c(Br)cc1F.
What is the InChIKey of (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The InChIKey is GOGDGBBQDILBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c1-7-2-3-8(15)4-9(7)14(19)10-5-13(18)11(16)6-12(10)17/h2-6,14H,19H2,1H3.
What are the key properties of (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine has a molecular weight of 391.05 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine is sourced from PubChem (CID 65307701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).