4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

C16H20N2 — CID 117029058

IUPAC4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H20N2/c1-12-5-6-13(2)16(11-12)18(4)15-9-7-14(17-3)8-10-15/h5-11,17H,1-4H3
InChIKeyASVYUQCVUNRTFQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.11
Rot. Bonds3

About 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117029058) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117029058
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H20N2/c1-12-5-6-13(2)16(11-12)18(4)15-9-7-14(17-3)8-10-15/h5-11,17H,1-4H3
InChIKeyASVYUQCVUNRTFQ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117029058) is 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is ASVYUQCVUNRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-6-13(2)16(11-12)18(4)15-9-7-14(17-3)8-10-15/h5-11,17H,1-4H3.
What are the key properties of 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117029058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).