4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline

C15H23FN2O — CID 103339223

IUPAC4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(CCOC)c1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H23FN2O/c1-5-8-18(9-10-19-4)15-7-6-13(16)11-14(15)12(2)17-3/h5-7,11-12,17H,1,8-10H2,2-4H3
InChIKeyBYZMZTBSEGOVKB-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.74
Rot. Bonds8

About 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline

4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline (PubChem CID 103339223) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
PubChem CID103339223
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(CCOC)c1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H23FN2O/c1-5-8-18(9-10-19-4)15-7-6-13(16)11-14(15)12(2)17-3/h5-7,11-12,17H,1,8-10H2,2-4H3
InChIKeyBYZMZTBSEGOVKB-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
CID 103339205
(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339609
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]benzaldehyde
CID 103339505
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline (CID 103339223) is 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline is C=CCN(CCOC)c1ccc(F)cc1C(C)NC.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The InChIKey is BYZMZTBSEGOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-8-18(9-10-19-4)15-7-6-13(16)11-14(15)12(2)17-3/h5-7,11-12,17H,1,8-10H2,2-4H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline has a molecular weight of 266.36 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline is sourced from PubChem (CID 103339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).