N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine

C15H22F3N — CID 83051217

IUPACN-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-6-14(19-5-2)11(3)12-7-9-13(10-8-12)15(16,17)18/h7-11,14,19H,4-6H2,1-3H3
InChIKeyXBGKWBHWTUIPPU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.59
Rot. Bonds6

About N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine

N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine (PubChem CID 83051217) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
PubChem CID83051217
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-6-14(19-5-2)11(3)12-7-9-13(10-8-12)15(16,17)18/h7-11,14,19H,4-6H2,1-3H3
InChIKeyXBGKWBHWTUIPPU-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105000583
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine?
The IUPAC name of N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine (CID 83051217) is N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine.
What is the SMILES notation for N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine?
The canonical SMILES for N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine is CCCC(NCC)C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine?
The InChIKey is XBGKWBHWTUIPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-6-14(19-5-2)11(3)12-7-9-13(10-8-12)15(16,17)18/h7-11,14,19H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine?
N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine is sourced from PubChem (CID 83051217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).