2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C17H28N2O2 — CID 62124787

IUPAC2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCC(C)C2C)c1OC
InChIInChI=1S/C17H28N2O2/c1-12-7-6-10-19(13(12)2)15(11-18)14-8-5-9-16(20-3)17(14)21-4/h5,8-9,12-13,15H,6-7,10-11,18H2,1-4H3
InChIKeyWLFMWQSOZZNVNW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62124787) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID62124787
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCC(C)C2C)c1OC
InChIInChI=1S/C17H28N2O2/c1-12-7-6-10-19(13(12)2)15(11-18)14-8-5-9-16(20-3)17(14)21-4/h5,8-9,12-13,15H,6-7,10-11,18H2,1-4H3
InChIKeyWLFMWQSOZZNVNW-UHFFFAOYSA-N
XLogP2.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-2-yl]methanol
CID 55021694
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 55040419
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 62124787) is 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is COc1cccc(C(CN)N2CCCC(C)C2C)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is WLFMWQSOZZNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-7-6-10-19(13(12)2)15(11-18)14-8-5-9-16(20-3)17(14)21-4/h5,8-9,12-13,15H,6-7,10-11,18H2,1-4H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62124787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).