1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine

C18H30N2O — CID 63972298

IUPAC1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCC(COC)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2O/c1-14-5-6-17(15(2)11-14)18(19-3)12-20-9-7-16(8-10-20)13-21-4/h5-6,11,16,18-19H,7-10,12-13H2,1-4H3
InChIKeyNZYOGOFGYKFQFK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.92
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine

1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine (PubChem CID 63972298) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
PubChem CID63972298
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCC(COC)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2O/c1-14-5-6-17(15(2)11-14)18(19-3)12-20-9-7-16(8-10-20)13-21-4/h5-6,11,16,18-19H,7-10,12-13H2,1-4H3
InChIKeyNZYOGOFGYKFQFK-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
2-(4-ethylpiperidin-1-yl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63469036
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine (CID 63972298) is 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine is CNC(CN1CCC(COC)CC1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine?
The InChIKey is NZYOGOFGYKFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-5-6-17(15(2)11-14)18(19-3)12-20-9-7-16(8-10-20)13-21-4/h5-6,11,16,18-19H,7-10,12-13H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine?
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 63972298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).