(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine

C14H11BrF3N — CID 107538630

IUPAC(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H11BrF3N/c1-7-2-3-8(16)6-10(7)14(19)9-4-5-11(17)13(18)12(9)15/h2-6,14H,19H2,1H3
InChIKeyNWMWZNPWYGUDLY-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine

(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 107538630) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID107538630
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H11BrF3N/c1-7-2-3-8(16)6-10(7)14(19)9-4-5-11(17)13(18)12(9)15/h2-6,14H,19H2,1H3
InChIKeyNWMWZNPWYGUDLY-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2-bromo-3,4-difluorophenyl)-(5-fluoro-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-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 107538630) is (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is NWMWZNPWYGUDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-2-3-8(16)6-10(7)14(19)9-4-5-11(17)13(18)12(9)15/h2-6,14H,19H2,1H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 107538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).