1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C17H28N2O — CID 63973652

IUPAC1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CC(N)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H28N2O/c1-13-4-5-16(10-14(13)2)17(18)11-19-8-6-15(7-9-19)12-20-3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3
InChIKeyDNAXKWGCTKMWPI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.66
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63973652) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63973652
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CC(N)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H28N2O/c1-13-4-5-16(10-14(13)2)17(18)11-19-8-6-15(7-9-19)12-20-3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3
InChIKeyDNAXKWGCTKMWPI-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
1-[4-[2-amino-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 18069751
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63973652) is 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(CC(N)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is DNAXKWGCTKMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-4-5-16(10-14(13)2)17(18)11-19-8-6-15(7-9-19)12-20-3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63973652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).