4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride

C11H19ClN2 — CID 74764031

IUPAC4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride
SMILESCCN(CC)c1ccc(N)c(C)c1.[Cl-].[H+]
InChIInChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
InChIKeyMPLZNPZPPXERDA-UHFFFAOYSA-N
MW214.74 g/mol
LogP-0.46
Rot. Bonds3

About 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride

4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride (PubChem CID 74764031) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride
PubChem CID74764031
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride
SMILESCCN(CC)c1ccc(N)c(C)c1.[Cl-].[H+]
InChIInChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
InChIKeyMPLZNPZPPXERDA-UHFFFAOYSA-N
XLogP-0.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride?
The IUPAC name of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride (CID 74764031) is 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride.
What is the SMILES notation for 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride?
The canonical SMILES for 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride is CCN(CC)c1ccc(N)c(C)c1.[Cl-].[H+].
What is the InChIKey of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride?
The InChIKey is MPLZNPZPPXERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H.
What are the key properties of 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride?
4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydron;chloride has a molecular weight of 214.74 g/mol, XLogP of -0.46, 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;hydron;chloride is sourced from PubChem (CID 74764031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).