2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline

C23H25NO2 — CID 23597813

IUPAC2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
SMILESCOc1cc(-c2ccc(N(C)c3ccc(C)cc3)c(OC)c2)ccc1C
InChIInChI=1S/C23H25NO2/c1-16-6-11-20(12-7-16)24(3)21-13-10-19(15-23(21)26-5)18-9-8-17(2)22(14-18)25-4/h6-15H,1-5H3
InChIKeyVNQCBCJCJXXKOE-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.76
Rot. Bonds5

About 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline

2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline (PubChem CID 23597813) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
PubChem CID23597813
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
SMILESCOc1cc(-c2ccc(N(C)c3ccc(C)cc3)c(OC)c2)ccc1C
InChIInChI=1S/C23H25NO2/c1-16-6-11-20(12-7-16)24(3)21-13-10-19(15-23(21)26-5)18-9-8-17(2)22(14-18)25-4/h6-15H,1-5H3
InChIKeyVNQCBCJCJXXKOE-UHFFFAOYSA-N
XLogP5.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(N,4-dimethylanilino)-3-methoxyphenyl]-2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanol
CID 58038434
N-[4-[3-methoxy-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-methylphenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277282
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
CID 14533990
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline (CID 23597813) is 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline is COc1cc(-c2ccc(N(C)c3ccc(C)cc3)c(OC)c2)ccc1C.
What is the InChIKey of 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The InChIKey is VNQCBCJCJXXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-6-11-20(12-7-16)24(3)21-13-10-19(15-23(21)26-5)18-9-8-17(2)22(14-18)25-4/h6-15H,1-5H3.
What are the key properties of 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline has a molecular weight of 347.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 23597813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).