2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline

C30H32N2O2 — CID 101202824

IUPAC2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
SMILESCOc1ccc(C)cc1Nc1cccc(C)c1-c1c(C)cccc1Nc1cc(C)ccc1OC
InChIInChI=1S/C30H32N2O2/c1-19-13-15-27(33-5)25(17-19)31-23-11-7-9-21(3)29(23)30-22(4)10-8-12-24(30)32-26-18-20(2)14-16-28(26)34-6/h7-18,31-32H,1-6H3
InChIKeyBFGJTUOYSAZNQQ-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.09
Rot. Bonds7

About 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline

2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline (PubChem CID 101202824) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
PubChem CID101202824
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
SMILESCOc1ccc(C)cc1Nc1cccc(C)c1-c1c(C)cccc1Nc1cc(C)ccc1OC
InChIInChI=1S/C30H32N2O2/c1-19-13-15-27(33-5)25(17-19)31-23-11-7-9-21(3)29(23)30-22(4)10-8-12-24(30)32-26-18-20(2)14-16-28(26)34-6/h7-18,31-32H,1-6H3
InChIKeyBFGJTUOYSAZNQQ-UHFFFAOYSA-N
XLogP8.09
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
CID 95476937
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
2-chloro-6-(2-methoxy-5-methylanilino)benzenecarbothioamide
CID 62501918
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057247
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline?
The IUPAC name of 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline (CID 101202824) is 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline.
What is the SMILES notation for 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline?
The canonical SMILES for 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline is COc1ccc(C)cc1Nc1cccc(C)c1-c1c(C)cccc1Nc1cc(C)ccc1OC.
What is the InChIKey of 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline?
The InChIKey is BFGJTUOYSAZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-19-13-15-27(33-5)25(17-19)31-23-11-7-9-21(3)29(23)30-22(4)10-8-12-24(30)32-26-18-20(2)14-16-28(26)34-6/h7-18,31-32H,1-6H3.
What are the key properties of 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline?
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline has a molecular weight of 452.60 g/mol, XLogP of 8.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline is sourced from PubChem (CID 101202824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).