4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline

C23H25NO2 — CID 54377429

IUPAC4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccc(OC)cc2)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C23H25NO2/c1-16-15-19(9-14-22(16)26-4)23(17-5-10-20(24-2)11-6-17)18-7-12-21(25-3)13-8-18/h5-15,23-24H,1-4H3
InChIKeyUXNDXAVRQXSBKP-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.23
Rot. Bonds6

About 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline

4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 54377429) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline
PubChem CID54377429
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccc(OC)cc2)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C23H25NO2/c1-16-15-19(9-14-22(16)26-4)23(17-5-10-20(24-2)11-6-17)18-7-12-21(25-3)13-8-18/h5-15,23-24H,1-4H3
InChIKeyUXNDXAVRQXSBKP-UHFFFAOYSA-N
XLogP5.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 80605627
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
2-(4-methoxy-3-methylphenyl)-N'-methylpropanehydrazide
CID 116846983
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline (CID 54377429) is 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline is CNc1ccc(C(c2ccc(OC)cc2)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is UXNDXAVRQXSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-15-19(9-14-22(16)26-4)23(17-5-10-20(24-2)11-6-17)18-7-12-21(25-3)13-8-18/h5-15,23-24H,1-4H3.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline?
4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 347.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 54377429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).