2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H14F3N3 — CID 57015756

IUPAC2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(/N=N/c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-8-6-11(7-9-12)14(10-19)21-20-13-4-2-1-3-5-13/h1-9,14H,10,19H2/b21-20+
InChIKeyUHWQLUSSPWDAGV-QZQOTICOSA-N
MW293.29 g/mol
LogP4.49
Rot. Bonds4

About 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine

2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 57015756) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID57015756
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(/N=N/c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-8-6-11(7-9-12)14(10-19)21-20-13-4-2-1-3-5-13/h1-9,14H,10,19H2/b21-20+
InChIKeyUHWQLUSSPWDAGV-QZQOTICOSA-N
XLogP4.49
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
3-amino-2-[4-(trifluoromethyl)phenyl]propanenitrile;azane
CID 175935687
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
1-[bis(phenylsulfanyl)methyl]-4-(trifluoromethyl)benzene
CID 14604424
(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
CID 130253876
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991

Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 57015756) is 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(/N=N/c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UHWQLUSSPWDAGV-QZQOTICOSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-15(17,18)12-8-6-11(7-9-12)14(10-19)21-20-13-4-2-1-3-5-13/h1-9,14H,10,19H2/b21-20+.
What are the key properties of 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 293.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 57015756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).