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

C33H38N2O5 — CID 167465242

IUPACN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C33H38N2O5/c1-36-32-12-6-10-28(20-32)23-35(24-29-11-7-13-33(21-29)37-2)31-14-15-34-30(22-31)26-40-19-17-38-16-18-39-25-27-8-4-3-5-9-27/h3-15,20-22H,16-19,23-26H2,1-2H3
InChIKeyUJIPRPXSHXIASB-UHFFFAOYSA-N
MW542.68 g/mol
LogP6.06
Rot. Bonds17

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

N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine (PubChem CID 167465242) has the molecular formula C33H38N2O5 and a molecular weight of 542.68 g/mol. Its IUPAC name is N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
PubChem CID167465242
Molecular FormulaC33H38N2O5
Molecular Weight542.68 g/mol
Exact Mass542.28
IUPAC NameN,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOCc3ccccc3)c2)c1
InChIInChI=1S/C33H38N2O5/c1-36-32-12-6-10-28(20-32)23-35(24-29-11-7-13-33(21-29)37-2)31-14-15-34-30(22-31)26-40-19-17-38-16-18-39-25-27-8-4-3-5-9-27/h3-15,20-22H,16-19,23-26H2,1-2H3
InChIKeyUJIPRPXSHXIASB-UHFFFAOYSA-N
XLogP6.06
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 56.06
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

2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
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,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465397
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465674
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 167465243
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
CID 167466286
4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465417

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine?
The IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine (CID 167465242) is N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine.
What is the SMILES notation for N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine?
The canonical SMILES for N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOCc3ccccc3)c2)c1.
What is the InChIKey of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine?
The InChIKey is UJIPRPXSHXIASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O5/c1-36-32-12-6-10-28(20-32)23-35(24-29-11-7-13-33(21-29)37-2)31-14-15-34-30(22-31)26-40-19-17-38-16-18-39-25-27-8-4-3-5-9-27/h3-15,20-22H,16-19,23-26H2,1-2H3.
What are the key properties of N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine?
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine has a molecular weight of 542.68 g/mol, XLogP of 6.06, 17 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)ethoxymethyl]pyridin-4-amine is sourced from PubChem (CID 167465242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).