(3-amino-2,4,6-trimethylphenyl)azanium

C9H15N2+ — CID 145475903

IUPAC(3-amino-2,4,6-trimethylphenyl)azanium
SMILESCc1cc(C)c([NH3+])c(C)c1N
InChIInChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3/p+1
InChIKeyZVDSMYGTJDFNHN-UHFFFAOYSA-O
MW151.23 g/mol
LogP1.07
Rot. Bonds

About (3-amino-2,4,6-trimethylphenyl)azanium

(3-amino-2,4,6-trimethylphenyl)azanium (PubChem CID 145475903) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is (3-amino-2,4,6-trimethylphenyl)azanium.

Molecular Properties

Compound Name(3-amino-2,4,6-trimethylphenyl)azanium
PubChem CID145475903
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name(3-amino-2,4,6-trimethylphenyl)azanium
SMILESCc1cc(C)c([NH3+])c(C)c1N
InChIInChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3/p+1
InChIKeyZVDSMYGTJDFNHN-UHFFFAOYSA-O
XLogP1.07
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4,6-trimethylphenyl)azanium?
The IUPAC name of (3-amino-2,4,6-trimethylphenyl)azanium (CID 145475903) is (3-amino-2,4,6-trimethylphenyl)azanium.
What is the SMILES notation for (3-amino-2,4,6-trimethylphenyl)azanium?
The canonical SMILES for (3-amino-2,4,6-trimethylphenyl)azanium is Cc1cc(C)c([NH3+])c(C)c1N.
What is the InChIKey of (3-amino-2,4,6-trimethylphenyl)azanium?
The InChIKey is ZVDSMYGTJDFNHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3/p+1.
What are the key properties of (3-amino-2,4,6-trimethylphenyl)azanium?
(3-amino-2,4,6-trimethylphenyl)azanium has a molecular weight of 151.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4,6-trimethylphenyl)azanium is sourced from PubChem (CID 145475903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).