N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C25H36N2O2 — CID 25457846

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1ccc(CCN(Cc2ccc(OC)c(C)c2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C25H36N2O2/c1-20-17-23(7-10-25(20)29-4)19-27(18-22-11-14-26(2)15-12-22)16-13-21-5-8-24(28-3)9-6-21/h5-10,17,22H,11-16,18-19H2,1-4H3
InChIKeyRZDGFGWLBSCLJC-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.40
Rot. Bonds9

About N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 25457846) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID25457846
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1ccc(CCN(Cc2ccc(OC)c(C)c2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C25H36N2O2/c1-20-17-23(7-10-25(20)29-4)19-27(18-22-11-14-26(2)15-12-22)16-13-21-5-8-24(28-3)9-6-21/h5-10,17,22H,11-16,18-19H2,1-4H3
InChIKeyRZDGFGWLBSCLJC-UHFFFAOYSA-N
XLogP4.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 42461936
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 42526208
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 25457846) is N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is COc1ccc(CCN(Cc2ccc(OC)c(C)c2)CC2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is RZDGFGWLBSCLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-20-17-23(7-10-25(20)29-4)19-27(18-22-11-14-26(2)15-12-22)16-13-21-5-8-24(28-3)9-6-21/h5-10,17,22H,11-16,18-19H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 396.58 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 25457846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).