1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine

C24H28N2O2 — CID 86003268

IUPAC1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2c(C)cccc2C)c(Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C24H28N2O2/c1-15-9-7-10-16(2)23(15)25-19-13-21(27-5)22(28-6)14-20(19)26-24-17(3)11-8-12-18(24)4/h7-14,25-26H,1-6H3
InChIKeyYBRYOHQOQAAUDP-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.42
Rot. Bonds6

About 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine

1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 86003268) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID86003268
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2c(C)cccc2C)c(Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C24H28N2O2/c1-15-9-7-10-16(2)23(15)25-19-13-21(27-5)22(28-6)14-20(19)26-24-17(3)11-8-12-18(24)4/h7-14,25-26H,1-6H3
InChIKeyYBRYOHQOQAAUDP-UHFFFAOYSA-N
XLogP6.42
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-methoxy-2,6-dimethylaniline
CID 146163191
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862593
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
N-methoxy-2,6-dimethylaniline
CID 142628906
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 86003268) is 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine is COc1cc(Nc2c(C)cccc2C)c(Nc2c(C)cccc2C)cc1OC.
What is the InChIKey of 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is YBRYOHQOQAAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-15-9-7-10-16(2)23(15)25-19-13-21(27-5)22(28-6)14-20(19)26-24-17(3)11-8-12-18(24)4/h7-14,25-26H,1-6H3.
What are the key properties of 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine?
1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 376.50 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 86003268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).