3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine

C16H20N2 — CID 63062743

IUPAC3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
SMILESCCN(c1ccc(C)cc1)c1cccc(N)c1C
InChIInChI=1S/C16H20N2/c1-4-18(14-10-8-12(2)9-11-14)16-7-5-6-15(17)13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyZHYHWIXGLNQVJR-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.04
Rot. Bonds3

About 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine

3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine (PubChem CID 63062743) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
PubChem CID63062743
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
SMILESCCN(c1ccc(C)cc1)c1cccc(N)c1C
InChIInChI=1S/C16H20N2/c1-4-18(14-10-8-12(2)9-11-14)16-7-5-6-15(17)13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyZHYHWIXGLNQVJR-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 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 ≤ 54.04
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 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine (CID 63062743) is 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine is CCN(c1ccc(C)cc1)c1cccc(N)c1C.
What is the InChIKey of 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine?
The InChIKey is ZHYHWIXGLNQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-18(14-10-8-12(2)9-11-14)16-7-5-6-15(17)13(16)3/h5-11H,4,17H2,1-3H3.
What are the key properties of 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine?
3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 63062743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).