[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C16H26N2O3 — CID 117475063

IUPAC[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1cc(C2CC(CN)CN2C)c(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-21-16-7-12(14(19-3)8-15(16)20-4)13-6-11(9-17)10-18(13)2/h7-8,11,13H,5-6,9-10,17H2,1-4H3
InChIKeyAUMHPHNGMRWKMF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds6

About [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117475063) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117475063
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1cc(C2CC(CN)CN2C)c(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-21-16-7-12(14(19-3)8-15(16)20-4)13-6-11(9-17)10-18(13)2/h7-8,11,13H,5-6,9-10,17H2,1-4H3
InChIKeyAUMHPHNGMRWKMF-UHFFFAOYSA-N
XLogP2.05
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117475063) is [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CCOc1cc(C2CC(CN)CN2C)c(OC)cc1OC.
What is the InChIKey of [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is AUMHPHNGMRWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-21-16-7-12(14(19-3)8-15(16)20-4)13-6-11(9-17)10-18(13)2/h7-8,11,13H,5-6,9-10,17H2,1-4H3.
What are the key properties of [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 294.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117475063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).