(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine

C13H8BrF4N — CID 103301576

IUPAC(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H8BrF4N/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13H,19H2
InChIKeyJJTDGCDULAYQNN-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.05
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine

(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301576) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301576
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H8BrF4N/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13H,19H2
InChIKeyJJTDGCDULAYQNN-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)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

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
CID 81142948

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine (CID 103301576) is (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine is NC(c1cc(F)c(F)cc1F)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is JJTDGCDULAYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-9-3-6(15)1-2-7(9)13(19)8-4-11(17)12(18)5-10(8)16/h1-5,13H,19H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine?
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 334.11 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).