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

C16H20N2 — CID 62003547

IUPAC1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1ccc(C)cc1)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2/c1-4-18(15-8-5-12(2)6-9-15)16-10-7-14(17)11-13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyPOHPVQLJKNSPGV-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.04
Rot. Bonds3

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

1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 62003547) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID62003547
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1ccc(C)cc1)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2/c1-4-18(15-8-5-12(2)6-9-15)16-10-7-14(17)11-13(16)3/h5-11H,4,17H2,1-3H3
InChIKeyPOHPVQLJKNSPGV-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 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine (CID 62003547) is 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine is CCN(c1ccc(C)cc1)c1ccc(N)cc1C.
What is the InChIKey of 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is POHPVQLJKNSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-18(15-8-5-12(2)6-9-15)16-10-7-14(17)11-13(16)3/h5-11H,4,17H2,1-3H3.
What are the key properties of 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine?
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-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 1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 62003547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).