N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine

C14H20FN — CID 81276354

IUPACN-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(F)cc1C
InChIInChI=1S/C14H20FN/c1-4-6-7-14(16-5-2)13-9-8-12(15)10-11(13)3/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyFLTQLPDSWIZHJS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine

N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine (PubChem CID 81276354) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
PubChem CID81276354
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(F)cc1C
InChIInChI=1S/C14H20FN/c1-4-6-7-14(16-5-2)13-9-8-12(15)10-11(13)3/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyFLTQLPDSWIZHJS-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-fluoro-2-methylphenyl)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

4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394
1-(4-fluoro-2-methylphenyl)but-3-enylhydrazine
CID 105256687
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine (CID 81276354) is N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine is C=CCCC(NCC)c1ccc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine?
The InChIKey is FLTQLPDSWIZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-6-7-14(16-5-2)13-9-8-12(15)10-11(13)3/h4,8-10,14,16H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine?
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 81276354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).