N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine

C15H19F4N — CID 114475641

IUPACN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C15H19F4N/c1-4-20-14(8-5-10(2)3)12-9-11(16)6-7-13(12)15(17,18)19/h6-7,9,14,20H,2,4-5,8H2,1,3H3
InChIKeyFQIVUVDPSVLGEJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.85
Rot. Bonds6

About N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine

N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine (PubChem CID 114475641) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
PubChem CID114475641
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C15H19F4N/c1-4-20-14(8-5-10(2)3)12-9-11(16)6-7-13(12)15(17,18)19/h6-7,9,14,20H,2,4-5,8H2,1,3H3
InChIKeyFQIVUVDPSVLGEJ-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
CID 114473996
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanamine
CID 83178417
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83178416
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039440
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine (CID 114475641) is N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine?
The InChIKey is FQIVUVDPSVLGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-4-20-14(8-5-10(2)3)12-9-11(16)6-7-13(12)15(17,18)19/h6-7,9,14,20H,2,4-5,8H2,1,3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine?
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).