4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline

C26H23NO — CID 147076032

IUPAC4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCOc1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C26H23NO/c1-27(23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-26(28-2)25(19-24)22-11-7-4-8-12-22/h3-19H,1-2H3
InChIKeyBFZCBJCAMIFQAE-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.80
Rot. Bonds5

About 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline

4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 147076032) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID147076032
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCOc1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C26H23NO/c1-27(23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-26(28-2)25(19-24)22-11-7-4-8-12-22/h3-19H,1-2H3
InChIKeyBFZCBJCAMIFQAE-UHFFFAOYSA-N
XLogP6.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide
CID 173255126
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
CID 145318490
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline (CID 147076032) is 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline is COc1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BFZCBJCAMIFQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-27(23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-26(28-2)25(19-24)22-11-7-4-8-12-22/h3-19H,1-2H3.
What are the key properties of 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline?
4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 365.48 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 147076032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).