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

C15H20F3NO — CID 105039774

IUPACN-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)20-15(16,17)18/h6-9,14,19H,2,4-5,10H2,1,3H3
InChIKeyLYOVDYBJCMSUPT-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.59
Rot. Bonds7

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

N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine (PubChem CID 105039774) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
PubChem CID105039774
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)20-15(16,17)18/h6-9,14,19H,2,4-5,10H2,1,3H3
InChIKeyLYOVDYBJCMSUPT-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine (CID 105039774) is N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The InChIKey is LYOVDYBJCMSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-4-19-14(10-5-11(2)3)12-6-8-13(9-7-12)20-15(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-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine has a molecular weight of 287.33 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine is sourced from PubChem (CID 105039774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).