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

C22H24N2 — CID 67212631

IUPAC1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine
SMILESCc1cccc(Nc2ccc(Nc3cccc(C)c3C)cc2)c1C
InChIInChI=1S/C22H24N2/c1-15-7-5-9-21(17(15)3)23-19-11-13-20(14-12-19)24-22-10-6-8-16(2)18(22)4/h5-14,23-24H,1-4H3
InChIKeyWAQPDYDRPQTELB-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.41
Rot. Bonds4

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

1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine (PubChem CID 67212631) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine
PubChem CID67212631
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine
SMILESCc1cccc(Nc2ccc(Nc3cccc(C)c3C)cc2)c1C
InChIInChI=1S/C22H24N2/c1-15-7-5-9-21(17(15)3)23-19-11-13-20(14-12-19)24-22-10-6-8-16(2)18(22)4/h5-14,23-24H,1-4H3
InChIKeyWAQPDYDRPQTELB-UHFFFAOYSA-N
XLogP6.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine (CID 67212631) is 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine is Cc1cccc(Nc2ccc(Nc3cccc(C)c3C)cc2)c1C.
What is the InChIKey of 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine?
The InChIKey is WAQPDYDRPQTELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-15-7-5-9-21(17(15)3)23-19-11-13-20(14-12-19)24-22-10-6-8-16(2)18(22)4/h5-14,23-24H,1-4H3.
What are the key properties of 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine has a molecular weight of 316.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 67212631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).