1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine

C15H15F3N2 — CID 2780885

IUPAC1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1NCCc1ccccc1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-6-7-14(13(19)10-12)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2
InChIKeyYXAWTVXKBSZOCU-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.94
Rot. Bonds4

About 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 2780885) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID2780885
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1NCCc1ccccc1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-6-7-14(13(19)10-12)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2
InChIKeyYXAWTVXKBSZOCU-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.94
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 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 2780885) is 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine is Nc1cc(C(F)(F)F)ccc1NCCc1ccccc1.
What is the InChIKey of 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is YXAWTVXKBSZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)12-6-7-14(13(19)10-12)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2.
What are the key properties of 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 280.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-phenylethyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 2780885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).