2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H28N2O — CID 79188328

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(CN1CC(C)C(C)C1)c1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O/c1-12-6-7-17(20-5)15(8-12)16(18-4)11-19-9-13(2)14(3)10-19/h6-8,13-14,16,18H,9-11H2,1-5H3
InChIKeyLSCCWOHEADLDHU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.85
Rot. Bonds5

About 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 79188328) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID79188328
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(CN1CC(C)C(C)C1)c1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O/c1-12-6-7-17(20-5)15(8-12)16(18-4)11-19-9-13(2)14(3)10-19/h6-8,13-14,16,18H,9-11H2,1-5H3
InChIKeyLSCCWOHEADLDHU-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
1-[2-(2,5-dimethylphenyl)-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452259
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
CID 80579333
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 79188328) is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(CN1CC(C)C(C)C1)c1cc(C)ccc1OC.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is LSCCWOHEADLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-6-7-17(20-5)15(8-12)16(18-4)11-19-9-13(2)14(3)10-19/h6-8,13-14,16,18H,9-11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79188328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).