1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine

C18H30N2O — CID 102965330

IUPAC1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
SMILESCNC(CN1CCC(C)C(OC)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H30N2O/c1-13-8-14(2)10-16(9-13)17(19-4)11-20-7-6-15(3)18(12-20)21-5/h8-10,15,17-19H,6-7,11-12H2,1-5H3
InChIKeyJSDIFGKQWTWOBD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.92
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine

1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine (PubChem CID 102965330) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
PubChem CID102965330
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
SMILESCNC(CN1CCC(C)C(OC)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H30N2O/c1-13-8-14(2)10-16(9-13)17(19-4)11-20-7-6-15(3)18(12-20)21-5/h8-10,15,17-19H,6-7,11-12H2,1-5H3
InChIKeyJSDIFGKQWTWOBD-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965565
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 103532164

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine (CID 102965330) is 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine is CNC(CN1CCC(C)C(OC)C1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine?
The InChIKey is JSDIFGKQWTWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-8-14(2)10-16(9-13)17(19-4)11-20-7-6-15(3)18(12-20)21-5/h8-10,15,17-19H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine?
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 102965330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).