3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine

C17H14F3N — CID 62338817

IUPAC3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
SMILESFC(F)(F)c1cccc(CNCC#Cc2ccccc2)c1
InChIInChI=1S/C17H14F3N/c18-17(19,20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,21H,11,13H2
InChIKeyMGFRWPCEESSMMF-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.85
Rot. Bonds3

About 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine

3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine (PubChem CID 62338817) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
PubChem CID62338817
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
SMILESFC(F)(F)c1cccc(CNCC#Cc2ccccc2)c1
InChIInChI=1S/C17H14F3N/c18-17(19,20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,21H,11,13H2
InChIKeyMGFRWPCEESSMMF-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-3-phenylprop-2-yn-1-amine
CID 62339178
1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
1-(3-phenylprop-2-ynyl)-3,5-bis(trifluoromethyl)benzene
CID 54756772
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
1-(4-phenylbuta-1,3-diynyl)-3-(trifluoromethyl)benzene
CID 102444082
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine (CID 62338817) is 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine is FC(F)(F)c1cccc(CNCC#Cc2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine?
The InChIKey is MGFRWPCEESSMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N/c18-17(19,20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,21H,11,13H2.
What are the key properties of 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine?
3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine has a molecular weight of 289.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 62338817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).