2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine

C33H38N2O6 — CID 167466330

IUPAC2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOc3cccc(OC)c3)c2)c1
InChIInChI=1S/C33H38N2O6/c1-36-30-9-4-7-26(19-30)23-35(24-27-8-5-10-31(20-27)37-2)29-13-14-34-28(21-29)25-40-16-15-39-17-18-41-33-12-6-11-32(22-33)38-3/h4-14,19-22H,15-18,23-25H2,1-3H3
InChIKeyFRDOMGJUPRBGML-UHFFFAOYSA-N
MW558.68 g/mol
LogP5.93
Rot. Bonds17

About 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine

2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine (PubChem CID 167466330) has the molecular formula C33H38N2O6 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
PubChem CID167466330
Molecular FormulaC33H38N2O6
Molecular Weight558.68 g/mol
Exact Mass558.27
IUPAC Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOc3cccc(OC)c3)c2)c1
InChIInChI=1S/C33H38N2O6/c1-36-30-9-4-7-26(19-30)23-35(24-27-8-5-10-31(20-27)37-2)29-13-14-34-28(21-29)25-40-16-15-39-17-18-41-33-12-6-11-32(22-33)38-3/h4-14,19-22H,15-18,23-25H2,1-3H3
InChIKeyFRDOMGJUPRBGML-UHFFFAOYSA-N
XLogP5.93
TPSA71.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
CID 171483692
N-[(3-imidazol-1-ylphenyl)methyl]-2-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466401
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465417
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
5-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167465337
3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465198
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
N-(3H-benzimidazol-5-ylmethyl)-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465588
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465674
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine (CID 167466330) is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOc3cccc(OC)c3)c2)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine?
The InChIKey is FRDOMGJUPRBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O6/c1-36-30-9-4-7-26(19-30)23-35(24-27-8-5-10-31(20-27)37-2)29-13-14-34-28(21-29)25-40-16-15-39-17-18-41-33-12-6-11-32(22-33)38-3/h4-14,19-22H,15-18,23-25H2,1-3H3.
What are the key properties of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine?
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine has a molecular weight of 558.68 g/mol, XLogP of 5.93, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 167466330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).