(2-tert-butylphenyl)-methylazanium

C11H18N+ — CID 143723704

IUPAC(2-tert-butylphenyl)-methylazanium
SMILESC[NH2+]c1ccccc1C(C)(C)C
InChIInChI=1S/C11H17N/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8,12H,1-4H3/p+1
InChIKeyDHQJBOWJBHNPIF-UHFFFAOYSA-O
MW164.27 g/mol
LogP1.81
Rot. Bonds1

About (2-tert-butylphenyl)-methylazanium

(2-tert-butylphenyl)-methylazanium (PubChem CID 143723704) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is (2-tert-butylphenyl)-methylazanium.

Molecular Properties

Compound Name(2-tert-butylphenyl)-methylazanium
PubChem CID143723704
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name(2-tert-butylphenyl)-methylazanium
SMILESC[NH2+]c1ccccc1C(C)(C)C
InChIInChI=1S/C11H17N/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8,12H,1-4H3/p+1
InChIKeyDHQJBOWJBHNPIF-UHFFFAOYSA-O
XLogP1.81
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-tert-butylphenyl)-methylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-methylazanium?
The IUPAC name of (2-tert-butylphenyl)-methylazanium (CID 143723704) is (2-tert-butylphenyl)-methylazanium.
What is the SMILES notation for (2-tert-butylphenyl)-methylazanium?
The canonical SMILES for (2-tert-butylphenyl)-methylazanium is C[NH2+]c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-methylazanium?
The InChIKey is DHQJBOWJBHNPIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8,12H,1-4H3/p+1.
What are the key properties of (2-tert-butylphenyl)-methylazanium?
(2-tert-butylphenyl)-methylazanium has a molecular weight of 164.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-methylazanium is sourced from PubChem (CID 143723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).