2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline

C8H8BrF3N2O — CID 131397948

IUPAC2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
SMILESNCc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)7(14)6(2-5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyKFWJRFBKNHFEOF-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.39
Rot. Bonds2

About 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline

2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline (PubChem CID 131397948) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
PubChem CID131397948
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
SMILESNCc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)7(14)6(2-5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyKFWJRFBKNHFEOF-UHFFFAOYSA-N
XLogP2.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline 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-amino-5-bromo-3-(trifluoromethoxy)benzoic acid
CID 131364248
4-amino-3-bromo-5-(trifluoromethoxy)benzenethiol
CID 131138005
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
3-(aminomethyl)-2-fluoro-6-(trifluoromethoxy)aniline
CID 134624109
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline (CID 131397948) is 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline is NCc1cc(Br)cc(OC(F)(F)F)c1N.
What is the InChIKey of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline?
The InChIKey is KFWJRFBKNHFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)7(14)6(2-5)15-8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline?
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline has a molecular weight of 285.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline is sourced from PubChem (CID 131397948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).