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

C8H9F3N2 — CID 26596734

IUPAC2-(aminomethyl)-4-(trifluoromethyl)aniline
SMILESNCc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,4,12-13H2
InChIKeyQUVMBUDSNDEGEU-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.75
Rot. Bonds1

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

2-(aminomethyl)-4-(trifluoromethyl)aniline (PubChem CID 26596734) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-(trifluoromethyl)aniline
PubChem CID26596734
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-(aminomethyl)-4-(trifluoromethyl)aniline
SMILESNCc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,4,12-13H2
InChIKeyQUVMBUDSNDEGEU-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-(trifluoromethyl)aniline (CID 26596734) is 2-(aminomethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-(trifluoromethyl)aniline is NCc1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-(aminomethyl)-4-(trifluoromethyl)aniline?
The InChIKey is QUVMBUDSNDEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,4,12-13H2.
What are the key properties of 2-(aminomethyl)-4-(trifluoromethyl)aniline?
2-(aminomethyl)-4-(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 2-(aminomethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 26596734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).