[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H24N2O2 — CID 117415847

IUPAC[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(OC)c(C)c(C2CC(CN)CN2C)c1
InChIInChI=1S/C15H24N2O2/c1-10-13(6-12(18-3)7-15(10)19-4)14-5-11(8-16)9-17(14)2/h6-7,11,14H,5,8-9,16H2,1-4H3
InChIKeyYNWDVXCMGLMJHO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds4

About [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117415847) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117415847
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(OC)c(C)c(C2CC(CN)CN2C)c1
InChIInChI=1S/C15H24N2O2/c1-10-13(6-12(18-3)7-15(10)19-4)14-5-11(8-16)9-17(14)2/h6-7,11,14H,5,8-9,16H2,1-4H3
InChIKeyYNWDVXCMGLMJHO-UHFFFAOYSA-N
XLogP1.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117415847) is [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cc(OC)c(C)c(C2CC(CN)CN2C)c1.
What is the InChIKey of [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is YNWDVXCMGLMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-13(6-12(18-3)7-15(10)19-4)14-5-11(8-16)9-17(14)2/h6-7,11,14H,5,8-9,16H2,1-4H3.
What are the key properties of [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117415847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).