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

C32H36N2O5 — CID 171483692

IUPACN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C32H36N2O5/c1-35-30-12-6-10-27(20-30)23-34(24-28-11-7-13-31(21-28)36-2)29-14-15-33-32(22-29)39-19-18-37-16-17-38-25-26-8-4-3-5-9-26/h3-15,20-22H,16-19,23-25H2,1-2H3
InChIKeyRWGXBCRWXMLBIN-UHFFFAOYSA-N
MW528.65 g/mol
LogP5.92
Rot. Bonds16

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

N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine (PubChem CID 171483692) has the molecular formula C32H36N2O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
PubChem CID171483692
Molecular FormulaC32H36N2O5
Molecular Weight528.65 g/mol
Exact Mass528.26
IUPAC NameN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C32H36N2O5/c1-35-30-12-6-10-27(20-30)23-34(24-28-11-7-13-31(21-28)36-2)29-14-15-33-32(22-29)39-19-18-37-16-17-38-25-26-8-4-3-5-9-26/h3-15,20-22H,16-19,23-25H2,1-2H3
InChIKeyRWGXBCRWXMLBIN-UHFFFAOYSA-N
XLogP5.92
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465674
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465397
N-[(3-imidazol-1-ylphenyl)methyl]-2-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466401
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 167465243
3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465198
3-[2-[[4-[(3-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methoxy]ethoxy]-N,N-dimethylaniline
CID 167465647
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine?
The IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine (CID 171483692) is N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine.
What is the SMILES notation for N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine?
The canonical SMILES for N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1.
What is the InChIKey of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine?
The InChIKey is RWGXBCRWXMLBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O5/c1-35-30-12-6-10-27(20-30)23-34(24-28-11-7-13-31(21-28)36-2)29-14-15-33-32(22-29)39-19-18-37-16-17-38-25-26-8-4-3-5-9-26/h3-15,20-22H,16-19,23-25H2,1-2H3.
What are the key properties of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine?
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine has a molecular weight of 528.65 g/mol, XLogP of 5.92, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine is sourced from PubChem (CID 171483692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).