N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine

C14H18F3N — CID 79592722

IUPACN-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCCNCCC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-2-18-11-5-3-4-6-12-7-9-13(10-8-12)14(15,16)17/h3-4,7-10,18H,2,5-6,11H2,1H3
InChIKeyVTZJOROTEMRDIH-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine

N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (PubChem CID 79592722) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
PubChem CID79592722
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCCNCCC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-2-18-11-5-3-4-6-12-7-9-13(10-8-12)14(15,16)17/h3-4,7-10,18H,2,5-6,11H2,1H3
InChIKeyVTZJOROTEMRDIH-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.80
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

N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79590324
decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
CID 157091649
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride
CID 117267958
N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79971788
1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
CID 67680891
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
ethyl 4-[(E)-10-[4-(trifluoromethyl)benzoyl]oxydec-2-enyl]benzoate
CID 162393415
diethyl-heptyl-[4-[4-(trifluoromethyl)phenyl]but-2-enyl]azanium chloride
CID 70446496
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (CID 79592722) is N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The canonical SMILES for N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is CCNCCC=CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The InChIKey is VTZJOROTEMRDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-18-11-5-3-4-6-12-7-9-13(10-8-12)14(15,16)17/h3-4,7-10,18H,2,5-6,11H2,1H3.
What are the key properties of N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is sourced from PubChem (CID 79592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).