[4-(diethylamino)-2-methylphenyl]azanium chloride

C11H19ClN2 — CID 43833333

IUPAC[4-(diethylamino)-2-methylphenyl]azanium chloride
SMILESCCN(CC)c1ccc([NH3+])c(C)c1.[Cl-]
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-1.28
Rot. Bonds3

About [4-(diethylamino)-2-methylphenyl]azanium chloride

[4-(diethylamino)-2-methylphenyl]azanium chloride (PubChem CID 43833333) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is [4-(diethylamino)-2-methylphenyl]azanium chloride.

Molecular Properties

Compound Name[4-(diethylamino)-2-methylphenyl]azanium chloride
PubChem CID43833333
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name[4-(diethylamino)-2-methylphenyl]azanium chloride
SMILESCCN(CC)c1ccc([NH3+])c(C)c1.[Cl-]
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-1.28
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2-methylphenyl]azanium chloride?
The IUPAC name of [4-(diethylamino)-2-methylphenyl]azanium chloride (CID 43833333) is [4-(diethylamino)-2-methylphenyl]azanium chloride.
What is the SMILES notation for [4-(diethylamino)-2-methylphenyl]azanium chloride?
The canonical SMILES for [4-(diethylamino)-2-methylphenyl]azanium chloride is CCN(CC)c1ccc([NH3+])c(C)c1.[Cl-].
What is the InChIKey of [4-(diethylamino)-2-methylphenyl]azanium 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-(diethylamino)-2-methylphenyl]azanium chloride?
[4-(diethylamino)-2-methylphenyl]azanium chloride has a molecular weight of 214.74 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2-methylphenyl]azanium chloride is sourced from PubChem (CID 43833333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).