2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine

C16H20N2 — CID 114281251

IUPAC2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(N)c(N(C)c2ccccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-11-7-5-6-8-15(11)18(4)16-10-13(3)12(2)9-14(16)17/h5-10H,17H2,1-4H3
InChIKeyDSTMTNGZMITKJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.96
Rot. Bonds2

About 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine

2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine (PubChem CID 114281251) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
PubChem CID114281251
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
SMILESCc1cc(N)c(N(C)c2ccccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-11-7-5-6-8-15(11)18(4)16-10-13(3)12(2)9-14(16)17/h5-10H,17H2,1-4H3
InChIKeyDSTMTNGZMITKJE-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine (CID 114281251) is 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine is Cc1cc(N)c(N(C)c2ccccc2C)cc1C.
What is the InChIKey of 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine?
The InChIKey is DSTMTNGZMITKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-7-5-6-8-15(11)18(4)16-10-13(3)12(2)9-14(16)17/h5-10H,17H2,1-4H3.
What are the key properties of 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine?
2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 114281251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).