N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine

C14H18F3N — CID 104987286

IUPACN-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-3-5-10-13(18-4-2)11-8-6-7-9-12(11)14(15,16)17/h3,6-9,13,18H,1,4-5,10H2,2H3
InChIKeyXXPVLGGVRRXISV-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.32
Rot. Bonds6

About N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine

N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine (PubChem CID 104987286) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
PubChem CID104987286
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-3-5-10-13(18-4-2)11-8-6-7-9-12(11)14(15,16)17/h3,6-9,13,18H,1,4-5,10H2,2H3
InChIKeyXXPVLGGVRRXISV-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine (CID 104987286) is N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine is C=CCCC(NCC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine?
The InChIKey is XXPVLGGVRRXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-3-5-10-13(18-4-2)11-8-6-7-9-12(11)14(15,16)17/h3,6-9,13,18H,1,4-5,10H2,2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine?
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine is sourced from PubChem (CID 104987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).