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

C33H37NO5 — CID 167466346

IUPACN,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccc(OCCOCCOCc3ccccc3)cc2)c1
InChIInChI=1S/C33H37NO5/c1-35-32-12-6-10-28(22-32)24-34(25-29-11-7-13-33(23-29)36-2)30-14-16-31(17-15-30)39-21-20-37-18-19-38-26-27-8-4-3-5-9-27/h3-17,22-23H,18-21,24-26H2,1-2H3
InChIKeyVABODAAAZPZYBJ-UHFFFAOYSA-N
MW527.66 g/mol
LogP6.52
Rot. Bonds16

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

N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline (PubChem CID 167466346) has the molecular formula C33H37NO5 and a molecular weight of 527.66 g/mol. Its IUPAC name is N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline.

Molecular Properties

Compound NameN,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
PubChem CID167466346
Molecular FormulaC33H37NO5
Molecular Weight527.66 g/mol
Exact Mass527.27
IUPAC NameN,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2ccc(OCCOCCOCc3ccccc3)cc2)c1
InChIInChI=1S/C33H37NO5/c1-35-32-12-6-10-28(22-32)24-34(25-29-11-7-13-33(23-29)36-2)30-14-16-31(17-15-30)39-21-20-37-18-19-38-26-27-8-4-3-5-9-27/h3-17,22-23H,18-21,24-26H2,1-2H3
InChIKeyVABODAAAZPZYBJ-UHFFFAOYSA-N
XLogP6.52
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.66
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
CID 171483692
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465674
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
CID 70842745
3-[2-[[4-[(3-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methoxy]ethoxy]-N,N-dimethylaniline
CID 167465647
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465397
5-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167465337
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 167465243
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline (CID 167466346) is N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline.
What is the SMILES notation for N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The canonical SMILES for N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline is COc1cccc(CN(Cc2cccc(OC)c2)c2ccc(OCCOCCOCc3ccccc3)cc2)c1.
What is the InChIKey of N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The InChIKey is VABODAAAZPZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO5/c1-35-32-12-6-10-28(22-32)24-34(25-29-11-7-13-33(23-29)36-2)30-14-16-31(17-15-30)39-21-20-37-18-19-38-26-27-8-4-3-5-9-27/h3-17,22-23H,18-21,24-26H2,1-2H3.
What are the key properties of N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline has a molecular weight of 527.66 g/mol, XLogP of 6.52, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline is sourced from PubChem (CID 167466346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).