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

C18H27BrN2O2 — CID 89080580

IUPAC1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine
SMILESC=C(c1c(OC)ccc(Br)c1OC)N(C)CC1CCCN1CC
InChIInChI=1S/C18H27BrN2O2/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
InChIKeyAQVUMAZOYYNGEQ-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.85
Rot. Bonds7

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

1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine (PubChem CID 89080580) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine
PubChem CID89080580
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine
SMILESC=C(c1c(OC)ccc(Br)c1OC)N(C)CC1CCCN1CC
InChIInChI=1S/C18H27BrN2O2/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
InChIKeyAQVUMAZOYYNGEQ-UHFFFAOYSA-N
XLogP3.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine
CID 89080621
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
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-[(6-bromo-2,3-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66538959
[6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] acetate
CID 13493835
4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol
CID 89080358
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N,4-dimethylthiophene-2-carboxamide
CID 70365041
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241963
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine?
The IUPAC name of 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine (CID 89080580) is 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine.
What is the SMILES notation for 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine?
The canonical SMILES for 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine is C=C(c1c(OC)ccc(Br)c1OC)N(C)CC1CCCN1CC.
What is the InChIKey of 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine?
The InChIKey is AQVUMAZOYYNGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/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 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine?
1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine has a molecular weight of 383.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine is sourced from PubChem (CID 89080580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).