2,4-diethyl-5-methylbenzene-1,3-diamine

C11H18N2 — CID 22419268

IUPAC2,4-diethyl-5-methylbenzene-1,3-diamine
SMILESCCc1c(C)cc(N)c(CC)c1N
InChIInChI=1S/C11H18N2/c1-4-8-7(3)6-10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3
InChIKeyOHJDDRJXKMWSFJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds2

About 2,4-diethyl-5-methylbenzene-1,3-diamine

2,4-diethyl-5-methylbenzene-1,3-diamine (PubChem CID 22419268) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,4-diethyl-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4-diethyl-5-methylbenzene-1,3-diamine
PubChem CID22419268
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,4-diethyl-5-methylbenzene-1,3-diamine
SMILESCCc1c(C)cc(N)c(CC)c1N
InChIInChI=1S/C11H18N2/c1-4-8-7(3)6-10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3
InChIKeyOHJDDRJXKMWSFJ-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
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 2,4-diethyl-5-methylbenzene-1,3-diamine?
The IUPAC name of 2,4-diethyl-5-methylbenzene-1,3-diamine (CID 22419268) is 2,4-diethyl-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 2,4-diethyl-5-methylbenzene-1,3-diamine?
The canonical SMILES for 2,4-diethyl-5-methylbenzene-1,3-diamine is CCc1c(C)cc(N)c(CC)c1N.
What is the InChIKey of 2,4-diethyl-5-methylbenzene-1,3-diamine?
The InChIKey is OHJDDRJXKMWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-7(3)6-10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3.
What are the key properties of 2,4-diethyl-5-methylbenzene-1,3-diamine?
2,4-diethyl-5-methylbenzene-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 22419268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).