2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

C20H22N4 — CID 175847129

IUPAC2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(NC)c(-c2ccc(N)cc2)c1-c1ccc(N)cc1
InChIInChI=1S/C20H22N4/c1-23-17-11-12-18(24-2)20(14-5-9-16(22)10-6-14)19(17)13-3-7-15(21)8-4-13/h3-12,23-24H,21-22H2,1-2H3
InChIKeyKSWXXOROWCEVOO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.27
Rot. Bonds4

About 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 175847129) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID175847129
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(NC)c(-c2ccc(N)cc2)c1-c1ccc(N)cc1
InChIInChI=1S/C20H22N4/c1-23-17-11-12-18(24-2)20(14-5-9-16(22)10-6-14)19(17)13-3-7-15(21)8-4-13/h3-12,23-24H,21-22H2,1-2H3
InChIKeyKSWXXOROWCEVOO-UHFFFAOYSA-N
XLogP4.27
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 175847129) is 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(NC)c(-c2ccc(N)cc2)c1-c1ccc(N)cc1.
What is the InChIKey of 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is KSWXXOROWCEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-17-11-12-18(24-2)20(14-5-9-16(22)10-6-14)19(17)13-3-7-15(21)8-4-13/h3-12,23-24H,21-22H2,1-2H3.
What are the key properties of 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-aminophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 175847129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).