4-(aminomethyl)-2-(trifluoromethyl)aniline

C8H9F3N2 — CID 55255909

IUPAC4-(aminomethyl)-2-(trifluoromethyl)aniline
SMILESNCc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,4,12-13H2
InChIKeyURCKMCGUMIIROI-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.75
Rot. Bonds1

About 4-(aminomethyl)-2-(trifluoromethyl)aniline

4-(aminomethyl)-2-(trifluoromethyl)aniline (PubChem CID 55255909) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-(trifluoromethyl)aniline
PubChem CID55255909
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name4-(aminomethyl)-2-(trifluoromethyl)aniline
SMILESNCc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,4,12-13H2
InChIKeyURCKMCGUMIIROI-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-(trifluoromethyl)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

[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
4-[5-(aminomethyl)-1H-indol-2-yl]-2-(trifluoromethyl)aniline
CID 25254992
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
CID 118829137
4-(aminomethyl)-1-(sulfamoylamino)-2-(trifluoromethyl)benzene
CID 114958581
4-[[4-amino-3-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
CID 134604008
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220300
4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220166

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-(trifluoromethyl)aniline (CID 55255909) is 4-(aminomethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-(trifluoromethyl)aniline is NCc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-2-(trifluoromethyl)aniline?
The InChIKey is URCKMCGUMIIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,4,12-13H2.
What are the key properties of 4-(aminomethyl)-2-(trifluoromethyl)aniline?
4-(aminomethyl)-2-(trifluoromethyl)aniline has a molecular weight of 190.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55255909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).