diphenyl-[2-(trifluoromethyl)phenyl]methanamine

C20H16F3N — CID 23522888

IUPACdiphenyl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N/c21-20(22,23)18-14-8-7-13-17(18)19(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,24H2
InChIKeyUZQNNRNSIMJYQA-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.96
Rot. Bonds3

About diphenyl-[2-(trifluoromethyl)phenyl]methanamine

diphenyl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 23522888) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is diphenyl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namediphenyl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID23522888
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Namediphenyl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N/c21-20(22,23)18-14-8-7-13-17(18)19(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,24H2
InChIKeyUZQNNRNSIMJYQA-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of diphenyl-[2-(trifluoromethyl)phenyl]methanamine (CID 23522888) is diphenyl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for diphenyl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for diphenyl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of diphenyl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UZQNNRNSIMJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c21-20(22,23)18-14-8-7-13-17(18)19(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,24H2.
What are the key properties of diphenyl-[2-(trifluoromethyl)phenyl]methanamine?
diphenyl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 327.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 23522888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).