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

C11H20Cl2N2 — CID 2829669

IUPAC4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride
SMILESCCN(CC)c1ccc(N)c(C)c1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;;/h6-8H,4-5,12H2,1-3H3;2*1H
InChIKeyHOIKPIMCTGFJFX-UHFFFAOYSA-N
MW251.20 g/mol
LogP3.27
Rot. Bonds3

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

4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride (PubChem CID 2829669) has the molecular formula C11H20Cl2N2 and a molecular weight of 251.20 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride
PubChem CID2829669
Molecular FormulaC11H20Cl2N2
Molecular Weight251.20 g/mol
Exact Mass250.10
IUPAC Name4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride
SMILESCCN(CC)c1ccc(N)c(C)c1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;;/h6-8H,4-5,12H2,1-3H3;2*1H
InChIKeyHOIKPIMCTGFJFX-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
N-ethyl-3-methylaniline
CID 7603
2,5-Diaminotoluene Dihydrochloride
CID 11996
4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
N,N-Dimethyl-4-[2-(2-methylphenyl)diazenyl]benzenamine
CID 19508
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
N,N'-Di-o-tolylethylenediamine
CID 66759

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride (CID 2829669) is 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride is CCN(CC)c1ccc(N)c(C)c1.Cl.Cl.
What is the InChIKey of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride?
The InChIKey is HOIKPIMCTGFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.2ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;;/h6-8H,4-5,12H2,1-3H3;2*1H.
What are the key properties of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride?
4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride has a molecular weight of 251.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 2829669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).