1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C15H24N2O — CID 116950924

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cc(C)cc(C)c1OC)C1CCCN1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)15(18-4)12(9-10)14(16-3)13-6-5-7-17-13/h8-9,13-14,16-17H,5-7H2,1-4H3
InChIKeyDBXJTWNCNDXTGH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950924) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID116950924
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cc(C)cc(C)c1OC)C1CCCN1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)15(18-4)12(9-10)14(16-3)13-6-5-7-17-13/h8-9,13-14,16-17H,5-7H2,1-4H3
InChIKeyDBXJTWNCNDXTGH-UHFFFAOYSA-N
XLogP2.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 170905811
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951152

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 116950924) is 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CNC(c1cc(C)cc(C)c1OC)C1CCCN1.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is DBXJTWNCNDXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-11(2)15(18-4)12(9-10)14(16-3)13-6-5-7-17-13/h8-9,13-14,16-17H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).