2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C17H28N2O2 — CID 63973443

IUPAC2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-10-15(4-5-17(13)21-3)16(11-18)19-8-6-14(7-9-19)12-20-2/h4-5,10,14,16H,6-9,11-12,18H2,1-3H3
InChIKeyUPXYGXVCIIGYPK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63973443) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63973443
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-13-10-15(4-5-17(13)21-3)16(11-18)19-8-6-14(7-9-19)12-20-2/h4-5,10,14,16H,6-9,11-12,18H2,1-3H3
InChIKeyUPXYGXVCIIGYPK-UHFFFAOYSA-N
XLogP2.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63972477
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63973443) is 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(C(CN)c2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is UPXYGXVCIIGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-10-15(4-5-17(13)21-3)16(11-18)19-8-6-14(7-9-19)12-20-2/h4-5,10,14,16H,6-9,11-12,18H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63973443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).