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

Analyze 1-N,4-N-diethyl-2-methylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-3-methylphenol
CID 21118573
4-bromo-N-ethyl-2-methylaniline
CID 23053407
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 156868277
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-ethyl-3-methyl-4-nitrosoaniline
CID 21453393
4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
CID 88803762
zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride
CID 170844651
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
CID 175798397
CID 175798397
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
CID 71038618

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).