2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine

C25H36N2O2 — CID 71034554

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2cccc(CCN3CCCCC3)c2)cc1OC
InChIInChI=1S/C25H36N2O2/c1-26(16-12-22-10-11-24(28-2)25(19-22)29-3)20-23-9-7-8-21(18-23)13-17-27-14-5-4-6-15-27/h7-11,18-19H,4-6,12-17,20H2,1-3H3
InChIKeyTWANNTKQWZRKEO-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.41
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine (PubChem CID 71034554) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
PubChem CID71034554
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2cccc(CCN3CCCCC3)c2)cc1OC
InChIInChI=1S/C25H36N2O2/c1-26(16-12-22-10-11-24(28-2)25(19-22)29-3)20-23-9-7-8-21(18-23)13-17-27-14-5-4-6-15-27/h7-11,18-19H,4-6,12-17,20H2,1-3H3
InChIKeyTWANNTKQWZRKEO-UHFFFAOYSA-N
XLogP4.41
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]propan-2-ol
CID 45204138
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
(2S)-1-[2-methoxy-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 28698282
(2S)-1-[2-methoxy-5-[[methyl(2-phenylethyl)amino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 51633984
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine (CID 71034554) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine is COc1ccc(CCN(C)Cc2cccc(CCN3CCCCC3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
The InChIKey is TWANNTKQWZRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-26(16-12-22-10-11-24(28-2)25(19-22)29-3)20-23-9-7-8-21(18-23)13-17-27-14-5-4-6-15-27/h7-11,18-19H,4-6,12-17,20H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine has a molecular weight of 396.58 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 71034554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).