N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline

C20H27N — CID 163804282

IUPACN,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
SMILESCc1ccc(N(C)c2c(C)c(C)cc(C)c2C)c(C)c1C
InChIInChI=1S/C20H27N/c1-12-9-10-19(18(7)15(12)4)21(8)20-16(5)13(2)11-14(3)17(20)6/h9-11H,1-8H3
InChIKeyKODAZYXQHBHCSU-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.61
Rot. Bonds2

About N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline

N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline (PubChem CID 163804282) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline.

Molecular Properties

Compound NameN,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
PubChem CID163804282
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
SMILESCc1ccc(N(C)c2c(C)c(C)cc(C)c2C)c(C)c1C
InChIInChI=1S/C20H27N/c1-12-9-10-19(18(7)15(12)4)21(8)20-16(5)13(2)11-14(3)17(20)6/h9-11H,1-8H3
InChIKeyKODAZYXQHBHCSU-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
CID 163538008
1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
CID 115125026
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
CID 117041406
N-(2,5-dimethylphenyl)-N,2,3,4,5,6-hexamethylaniline
CID 134561466
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371
N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
CID 163804278
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
2-(N,2,3,4-tetramethylanilino)acetaldehyde
CID 115222854

Frequently Asked Questions

What is the IUPAC name of N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline?
The IUPAC name of N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline (CID 163804282) is N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline.
What is the SMILES notation for N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline?
The canonical SMILES for N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline is Cc1ccc(N(C)c2c(C)c(C)cc(C)c2C)c(C)c1C.
What is the InChIKey of N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline?
The InChIKey is KODAZYXQHBHCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-12-9-10-19(18(7)15(12)4)21(8)20-16(5)13(2)11-14(3)17(20)6/h9-11H,1-8H3.
What are the key properties of N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline?
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline has a molecular weight of 281.44 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline is sourced from PubChem (CID 163804282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).