1-N,4-N-diethyl-2-methylbenzene-1,4-diamine

C11H18N2 — CID 18957572

IUPAC1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
SMILESCCNc1ccc(NCC)c(C)c1
InChIInChI=1S/C11H18N2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12-13H,4-5H2,1-3H3
InChIKeyMIMCDARZGRDCQA-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.86
Rot. Bonds4

About 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine

1-N,4-N-diethyl-2-methylbenzene-1,4-diamine (PubChem CID 18957572) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
PubChem CID18957572
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
SMILESCCNc1ccc(NCC)c(C)c1
InChIInChI=1S/C11H18N2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12-13H,4-5H2,1-3H3
InChIKeyMIMCDARZGRDCQA-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine (CID 18957572) is 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine is CCNc1ccc(NCC)c(C)c1.
What is the InChIKey of 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine?
The InChIKey is MIMCDARZGRDCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12-13H,4-5H2,1-3H3.
What are the key properties of 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine?
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 18957572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).