N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine

C16H24F3N — CID 102758491

IUPACN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCCCC(NCC)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C16H24F3N/c1-4-6-7-8-15(20-5-2)14-10-9-13(11-12(14)3)16(17,18)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyVHJLZKOWLZBXIL-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.24
Rot. Bonds7

About N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine

N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine (PubChem CID 102758491) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
PubChem CID102758491
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCCCC(NCC)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C16H24F3N/c1-4-6-7-8-15(20-5-2)14-10-9-13(11-12(14)3)16(17,18)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyVHJLZKOWLZBXIL-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755108
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102753611
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine?
The IUPAC name of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine (CID 102758491) is N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine?
The canonical SMILES for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine is CCCCCC(NCC)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine?
The InChIKey is VHJLZKOWLZBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-6-7-8-15(20-5-2)14-10-9-13(11-12(14)3)16(17,18)19/h9-11,15,20H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine?
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine is sourced from PubChem (CID 102758491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).