N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine

C14H18F3N — CID 104986781

IUPACN-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3N/c1-3-5-6-7-13(18-4-2)14-11(16)8-10(15)9-12(14)17/h3,8-9,13,18H,1,4-7H2,2H3
InChIKeyIQELQYAULBPCPP-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.11
Rot. Bonds7

About N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine

N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine (PubChem CID 104986781) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
PubChem CID104986781
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3N/c1-3-5-6-7-13(18-4-2)14-11(16)8-10(15)9-12(14)17/h3,8-9,13,18H,1,4-7H2,2H3
InChIKeyIQELQYAULBPCPP-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 105000738
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine (CID 104986781) is N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine is C=CCCCC(NCC)c1c(F)cc(F)cc1F.
What is the InChIKey of N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine?
The InChIKey is IQELQYAULBPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-3-5-6-7-13(18-4-2)14-11(16)8-10(15)9-12(14)17/h3,8-9,13,18H,1,4-7H2,2H3.
What are the key properties of N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine?
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine is sourced from PubChem (CID 104986781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).