2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline

C17H27FN2O — CID 103339205

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
SMILESC=CCN(CCOC)c1cc(C)c(F)cc1C(C)NCC
InChIInChI=1S/C17H27FN2O/c1-6-8-20(9-10-21-5)17-11-13(3)16(18)12-15(17)14(4)19-7-2/h6,11-12,14,19H,1,7-10H2,2-5H3
InChIKeyVQMZUEHKFMRVSJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds9

About 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline

2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline (PubChem CID 103339205) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
PubChem CID103339205
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
SMILESC=CCN(CCOC)c1cc(C)c(F)cc1C(C)NCC
InChIInChI=1S/C17H27FN2O/c1-6-8-20(9-10-21-5)17-11-13(3)16(18)12-15(17)14(4)19-7-2/h6,11-12,14,19H,1,7-10H2,2-5H3
InChIKeyVQMZUEHKFMRVSJ-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline 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-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 103339223
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339609
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103339243
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]benzaldehyde
CID 103339505
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
CID 114058766
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
CID 107750762

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline (CID 103339205) is 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline is C=CCN(CCOC)c1cc(C)c(F)cc1C(C)NCC.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline?
The InChIKey is VQMZUEHKFMRVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-6-8-20(9-10-21-5)17-11-13(3)16(18)12-15(17)14(4)19-7-2/h6,11-12,14,19H,1,7-10H2,2-5H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline has a molecular weight of 294.41 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline is sourced from PubChem (CID 103339205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).