1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine

C24H28N2O6 — CID 171934003

IUPAC1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2ccccc2Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-27-19-11-15(12-20(28-2)23(19)31-5)25-17-9-7-8-10-18(17)26-16-13-21(29-3)24(32-6)22(14-16)30-4/h7-14,25-26H,1-6H3
InChIKeyOKIVHLPQEREVHH-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.23
Rot. Bonds10

About 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine

1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine (PubChem CID 171934003) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
PubChem CID171934003
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2ccccc2Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-27-19-11-15(12-20(28-2)23(19)31-5)25-17-9-7-8-10-18(17)26-16-13-21(29-3)24(32-6)22(14-16)30-4/h7-14,25-26H,1-6H3
InChIKeyOKIVHLPQEREVHH-UHFFFAOYSA-N
XLogP5.23
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 171920030
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
CID 171920076
7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920024
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 101056079
5-N-(2-methoxyphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967104
2-methoxy-N-phenylaniline
CID 10910514

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine (CID 171934003) is 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine is COc1cc(Nc2ccccc2Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
The InChIKey is OKIVHLPQEREVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-27-19-11-15(12-20(28-2)23(19)31-5)25-17-9-7-8-10-18(17)26-16-13-21(29-3)24(32-6)22(14-16)30-4/h7-14,25-26H,1-6H3.
What are the key properties of 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine?
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine has a molecular weight of 440.50 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 171934003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).