2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

C17H28N2O — CID 62132977

IUPAC2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)C2C)cc1C
InChIInChI=1S/C17H28N2O/c1-12-6-5-9-19(14(12)3)16(11-18)15-7-8-17(20-4)13(2)10-15/h7-8,10,12,14,16H,5-6,9,11,18H2,1-4H3
InChIKeyGXHWDCJKJINJFY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 62132977) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID62132977
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)C2C)cc1C
InChIInChI=1S/C17H28N2O/c1-12-6-5-9-19(14(12)3)16(11-18)15-7-8-17(20-4)13(2)10-15/h7-8,10,12,14,16H,5-6,9,11,18H2,1-4H3
InChIKeyGXHWDCJKJINJFY-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(3-bromo-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62125147
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 55040419
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (CID 62132977) is 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is COc1ccc(C(CN)N2CCCC(C)C2C)cc1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is GXHWDCJKJINJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-6-5-9-19(14(12)3)16(11-18)15-7-8-17(20-4)13(2)10-15/h7-8,10,12,14,16H,5-6,9,11,18H2,1-4H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 62132977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).