N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine

C15H20F3N — CID 105039166

IUPACN-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)15(16,17)18/h6-9,14,19H,2,4-5,10H2,1,3H3
InChIKeyGUSWZHRYVIETJP-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.71
Rot. Bonds6

About N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine

N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine (PubChem CID 105039166) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
PubChem CID105039166
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)15(16,17)18/h6-9,14,19H,2,4-5,10H2,1,3H3
InChIKeyGUSWZHRYVIETJP-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.71
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

N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine (CID 105039166) is N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The InChIKey is GUSWZHRYVIETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)15(16,17)18/h6-9,14,19H,2,4-5,10H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine?
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine is sourced from PubChem (CID 105039166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).