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

C16H24F3N — CID 105028112

IUPAC4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-3)11-13-6-8-14(9-7-13)16(17,18)19/h6-9,12,15,20H,4-5,10-11H2,1-3H3
InChIKeyLKXWINDLPBFRCI-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.66
Rot. Bonds7

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

4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 105028112) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID105028112
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-3)11-13-6-8-14(9-7-13)16(17,18)19/h6-9,12,15,20H,4-5,10-11H2,1-3H3
InChIKeyLKXWINDLPBFRCI-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (CID 105028112) is 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is CCC(CC)CC(Cc1ccc(C(F)(F)F)cc1)NC.
What is the InChIKey of 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is LKXWINDLPBFRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-3)11-13-6-8-14(9-7-13)16(17,18)19/h6-9,12,15,20H,4-5,10-11H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is sourced from PubChem (CID 105028112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).