1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine

C17H26N2O2 — CID 89080572

IUPAC1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
SMILESC=C(c1c(OC)cccc1OC)N(C)CC1CCCN1C
InChIInChI=1S/C17H26N2O2/c1-13(19(3)12-14-8-7-11-18(14)2)17-15(20-4)9-6-10-16(17)21-5/h6,9-10,14H,1,7-8,11-12H2,2-5H3
InChIKeyYCLPWHULDOVROD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine

1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine (PubChem CID 89080572) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
PubChem CID89080572
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
SMILESC=C(c1c(OC)cccc1OC)N(C)CC1CCCN1C
InChIInChI=1S/C17H26N2O2/c1-13(19(3)12-14-8-7-11-18(14)2)17-15(20-4)9-6-10-16(17)21-5/h6,9-10,14H,1,7-8,11-12H2,2-5H3
InChIKeyYCLPWHULDOVROD-UHFFFAOYSA-N
XLogP2.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine (CID 89080572) is 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine is C=C(c1c(OC)cccc1OC)N(C)CC1CCCN1C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine?
The InChIKey is YCLPWHULDOVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(19(3)12-14-8-7-11-18(14)2)17-15(20-4)9-6-10-16(17)21-5/h6,9-10,14H,1,7-8,11-12H2,2-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine?
1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine has a molecular weight of 290.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine is sourced from PubChem (CID 89080572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).