[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H24N2O2 — CID 117415862

IUPAC[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C)c(C2CC(CN)CN2C)c1OC
InChIInChI=1S/C15H24N2O2/c1-10-5-6-13(18-3)15(19-4)14(10)12-7-11(8-16)9-17(12)2/h5-6,11-12H,7-9,16H2,1-4H3
InChIKeyJWLLPRZNYCKWHE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds4

About [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117415862) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117415862
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C)c(C2CC(CN)CN2C)c1OC
InChIInChI=1S/C15H24N2O2/c1-10-5-6-13(18-3)15(19-4)14(10)12-7-11(8-16)9-17(12)2/h5-6,11-12H,7-9,16H2,1-4H3
InChIKeyJWLLPRZNYCKWHE-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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Related Compounds

[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454718
[5-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117462547
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117477745
[5-(2-bromo-3-fluoro-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117485269

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117415862) is [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1ccc(C)c(C2CC(CN)CN2C)c1OC.
What is the InChIKey of [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JWLLPRZNYCKWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-6-13(18-3)15(19-4)14(10)12-7-11(8-16)9-17(12)2/h5-6,11-12H,7-9,16H2,1-4H3.
What are the key properties of [5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2,3-dimethoxy-6-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-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117415862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).