N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine

C18H27FN2O2 — CID 89080621

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine
SMILESC=C(c1c(OC)ccc(F)c1OC)N(C)CC1CCCN1CC
InChIInChI=1S/C18H27FN2O2/c1-6-21-11-7-8-14(21)12-20(3)13(2)17-16(22-4)10-9-15(19)18(17)23-5/h9-10,14H,2,6-8,11-12H2,1,3-5H3
InChIKeyAGHICUIMGAATSJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.23
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine (PubChem CID 89080621) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine
PubChem CID89080621
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine
SMILESC=C(c1c(OC)ccc(F)c1OC)N(C)CC1CCCN1CC
InChIInChI=1S/C18H27FN2O2/c1-6-21-11-7-8-14(21)12-20(3)13(2)17-16(22-4)10-9-15(19)18(17)23-5/h9-10,14H,2,6-8,11-12H2,1,3-5H3
InChIKeyAGHICUIMGAATSJ-UHFFFAOYSA-N
XLogP3.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine 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

1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine
CID 89080580
4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol
CID 89080358
1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
CID 89080572
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-fluoro-2-hydroxy-6-methoxybenzamide
CID 13493798
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N,4-dimethylthiophene-2-carboxamide
CID 70365041
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine (CID 89080621) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine is C=C(c1c(OC)ccc(F)c1OC)N(C)CC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine?
The InChIKey is AGHICUIMGAATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-6-21-11-7-8-14(21)12-20(3)13(2)17-16(22-4)10-9-15(19)18(17)23-5/h9-10,14H,2,6-8,11-12H2,1,3-5H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine has a molecular weight of 322.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine is sourced from PubChem (CID 89080621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).