3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline

C26H31NO6 — CID 102009274

IUPAC3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2c(C)cc(C)c(-c3c(OC)cc(OC)cc3OC)c2N)c(OC)c1
InChIInChI=1S/C26H31NO6/c1-14-9-15(2)23(25-20(32-7)12-17(29-4)13-21(25)33-8)26(27)22(14)24-18(30-5)10-16(28-3)11-19(24)31-6/h9-13H,27H2,1-8H3
InChIKeyIOGWKIOBDSEROI-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.27
Rot. Bonds8

About 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline

3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline (PubChem CID 102009274) has the molecular formula C26H31NO6 and a molecular weight of 453.54 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
PubChem CID102009274
Molecular FormulaC26H31NO6
Molecular Weight453.54 g/mol
Exact Mass453.22
IUPAC Name3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2c(C)cc(C)c(-c3c(OC)cc(OC)cc3OC)c2N)c(OC)c1
InChIInChI=1S/C26H31NO6/c1-14-9-15(2)23(25-20(32-7)12-17(29-4)13-21(25)33-8)26(27)22(14)24-18(30-5)10-16(28-3)11-19(24)31-6/h9-13H,27H2,1-8H3
InChIKeyIOGWKIOBDSEROI-UHFFFAOYSA-N
XLogP5.27
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
4-(2,4-dimethoxy-6-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831957
6-methyl-5-(2,4,6-trimethoxyphenyl)pyridin-2-amine
CID 79020265
2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline?
The IUPAC name of 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline (CID 102009274) is 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline.
What is the SMILES notation for 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline?
The canonical SMILES for 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline is COc1cc(OC)c(-c2c(C)cc(C)c(-c3c(OC)cc(OC)cc3OC)c2N)c(OC)c1.
What is the InChIKey of 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline?
The InChIKey is IOGWKIOBDSEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6/c1-14-9-15(2)23(25-20(32-7)12-17(29-4)13-21(25)33-8)26(27)22(14)24-18(30-5)10-16(28-3)11-19(24)31-6/h9-13H,27H2,1-8H3.
What are the key properties of 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline?
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline has a molecular weight of 453.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline is sourced from PubChem (CID 102009274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).