4-ethyl-2-methylbenzene-1,3-diamine

C9H14N2 — CID 19869829

IUPAC4-ethyl-2-methylbenzene-1,3-diamine
SMILESCCc1ccc(N)c(C)c1N
InChIInChI=1S/C9H14N2/c1-3-7-4-5-8(10)6(2)9(7)11/h4-5H,3,10-11H2,1-2H3
InChIKeyYBDWNQKQXGUAOR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.72
Rot. Bonds1

About 4-ethyl-2-methylbenzene-1,3-diamine

4-ethyl-2-methylbenzene-1,3-diamine (PubChem CID 19869829) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-ethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-ethyl-2-methylbenzene-1,3-diamine
PubChem CID19869829
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-ethyl-2-methylbenzene-1,3-diamine
SMILESCCc1ccc(N)c(C)c1N
InChIInChI=1S/C9H14N2/c1-3-7-4-5-8(10)6(2)9(7)11/h4-5H,3,10-11H2,1-2H3
InChIKeyYBDWNQKQXGUAOR-UHFFFAOYSA-N
XLogP1.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
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 4-ethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 4-ethyl-2-methylbenzene-1,3-diamine (CID 19869829) is 4-ethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-ethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 4-ethyl-2-methylbenzene-1,3-diamine is CCc1ccc(N)c(C)c1N.
What is the InChIKey of 4-ethyl-2-methylbenzene-1,3-diamine?
The InChIKey is YBDWNQKQXGUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-7-4-5-8(10)6(2)9(7)11/h4-5H,3,10-11H2,1-2H3.
What are the key properties of 4-ethyl-2-methylbenzene-1,3-diamine?
4-ethyl-2-methylbenzene-1,3-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 19869829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).