[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium

C13H22N+ — CID 59124075

IUPAC[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium
SMILESCc1ccc(C([NH3+])C(C)(C)C)cc1C
InChIInChI=1S/C13H21N/c1-9-6-7-11(8-10(9)2)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/p+1
InChIKeyFEFDOVBEDOJGKK-UHFFFAOYSA-O
MW192.33 g/mol
LogP2.63
Rot. Bonds1

About [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium

[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium (PubChem CID 59124075) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium
PubChem CID59124075
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium
SMILESCc1ccc(C([NH3+])C(C)(C)C)cc1C
InChIInChI=1S/C13H21N/c1-9-6-7-11(8-10(9)2)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/p+1
InChIKeyFEFDOVBEDOJGKK-UHFFFAOYSA-O
XLogP2.63
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
4-(1-bromo-3,4,4-trimethylpentyl)-1,2-dimethylbenzene
CID 63832623
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 91524620
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium?
The IUPAC name of [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium (CID 59124075) is [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium?
The canonical SMILES for [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium is Cc1ccc(C([NH3+])C(C)(C)C)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium?
The InChIKey is FEFDOVBEDOJGKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N/c1-9-6-7-11(8-10(9)2)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/p+1.
What are the key properties of [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium?
[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium has a molecular weight of 192.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium is sourced from PubChem (CID 59124075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).