2,2-dimethylpropyl(phenyl)azanium chloride

C11H18ClN — CID 121302538

IUPAC2,2-dimethylpropyl(phenyl)azanium chloride
SMILESCC(C)(C)C[NH2+]c1ccccc1.[Cl-]
InChIInChI=1S/C11H17N.ClH/c1-11(2,3)9-12-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H
InChIKeyDYYXOOFYBWQONE-UHFFFAOYSA-N
MW199.73 g/mol
LogP-1.07
Rot. Bonds2

About 2,2-dimethylpropyl(phenyl)azanium chloride

2,2-dimethylpropyl(phenyl)azanium chloride (PubChem CID 121302538) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is 2,2-dimethylpropyl(phenyl)azanium chloride.

Molecular Properties

Compound Name2,2-dimethylpropyl(phenyl)azanium chloride
PubChem CID121302538
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC Name2,2-dimethylpropyl(phenyl)azanium chloride
SMILESCC(C)(C)C[NH2+]c1ccccc1.[Cl-]
InChIInChI=1S/C11H17N.ClH/c1-11(2,3)9-12-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H
InChIKeyDYYXOOFYBWQONE-UHFFFAOYSA-N
XLogP-1.07
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropyl(phenyl)azanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

ethyl(phenyl)azanium hydroxide
CID 19786088
benzyl(phenyl)azanium bromide
CID 173449870
methyl(phenyl)azanium bromide
CID 67931495
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
CID 158792811
CID 158792811
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
CID 23535270
CID 23535270
2-phenylpropan-2-ylbenzene
CID 13065
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl(phenyl)azanium chloride?
The IUPAC name of 2,2-dimethylpropyl(phenyl)azanium chloride (CID 121302538) is 2,2-dimethylpropyl(phenyl)azanium chloride.
What is the SMILES notation for 2,2-dimethylpropyl(phenyl)azanium chloride?
The canonical SMILES for 2,2-dimethylpropyl(phenyl)azanium chloride is CC(C)(C)C[NH2+]c1ccccc1.[Cl-].
What is the InChIKey of 2,2-dimethylpropyl(phenyl)azanium chloride?
The InChIKey is DYYXOOFYBWQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-11(2,3)9-12-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H.
What are the key properties of 2,2-dimethylpropyl(phenyl)azanium chloride?
2,2-dimethylpropyl(phenyl)azanium chloride has a molecular weight of 199.73 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl(phenyl)azanium chloride is sourced from PubChem (CID 121302538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).