2-(Trifluoromethyl)benzylamine

C8H8F3N — CID 76447

IUPAC[2-(trifluoromethyl)phenyl]methanamine
SMILESC1=CC=C(C(=C1)CN)C(F)(F)F
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKeyZSKQIFWUTUZAGF-UHFFFAOYSA-N
MW175.15 g/mol
LogP1.70
Rot. Bonds1

About 2-(Trifluoromethyl)benzylamine

2-(Trifluoromethyl)benzylamine (PubChem CID 76447) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-(Trifluoromethyl)benzylamine
PubChem CID76447
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name[2-(trifluoromethyl)phenyl]methanamine
SMILESC1=CC=C(C(=C1)CN)C(F)(F)F
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKeyZSKQIFWUTUZAGF-UHFFFAOYSA-N
XLogP1.70
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenethylamine
CID 1001
Benzylamine
CID 7504
1-Phenethylamine
CID 7408
4-Fluorobenzylamine
CID 67326
1,4-Benzenedimethanamine
CID 68315
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
Benzylammonium chloride
CID 2724127
Mofegiline
CID 6437850
4-Methylbenzylamine
CID 66035
Phenethylamine, m-trifluoromethyl-
CID 104223
2-Methylbenzylamine
CID 6993

Frequently Asked Questions

What is the IUPAC name of 2-(Trifluoromethyl)benzylamine?
The IUPAC name of 2-(Trifluoromethyl)benzylamine (CID 76447) is [2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-(Trifluoromethyl)benzylamine?
The canonical SMILES for 2-(Trifluoromethyl)benzylamine is C1=CC=C(C(=C1)CN)C(F)(F)F.
What is the InChIKey of 2-(Trifluoromethyl)benzylamine?
The InChIKey is ZSKQIFWUTUZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2.
What are the key properties of 2-(Trifluoromethyl)benzylamine?
2-(Trifluoromethyl)benzylamine has a molecular weight of 175.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Trifluoromethyl)benzylamine is sourced from PubChem (CID 76447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).