2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline

C8H8ClF3N2O — CID 118995380

IUPAC2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
SMILESNCc1cc(OC(F)(F)F)c(Cl)cc1N
InChIInChI=1S/C8H8ClF3N2O/c9-5-2-6(14)4(3-13)1-7(5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyPGWQYBFYVSGWCC-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.28
Rot. Bonds2

About 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline

2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline (PubChem CID 118995380) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
PubChem CID118995380
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
SMILESNCc1cc(OC(F)(F)F)c(Cl)cc1N
InChIInChI=1S/C8H8ClF3N2O/c9-5-2-6(14)4(3-13)1-7(5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyPGWQYBFYVSGWCC-UHFFFAOYSA-N
XLogP2.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-5-chloro-4-(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-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
2-chloro-4-(chloromethyl)-5-(trifluoromethoxy)aniline
CID 131323958
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
2-(aminomethyl)-6-chloro-3-(trifluoromethoxy)aniline
CID 119001366
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
CID 131397948
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline (CID 118995380) is 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline is NCc1cc(OC(F)(F)F)c(Cl)cc1N.
What is the InChIKey of 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline?
The InChIKey is PGWQYBFYVSGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-5-2-6(14)4(3-13)1-7(5)15-8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline?
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline has a molecular weight of 240.61 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 118995380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).