(3,5-dimethylphenyl)azanium

C8H12N+ — CID 1274251

IUPAC(3,5-dimethylphenyl)azanium
SMILESCc1cc(C)cc([NH3+])c1
InChIInChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3/p+1
InChIKeyMKARNSWMMBGSHX-UHFFFAOYSA-O
MW122.19 g/mol
LogP1.18
Rot. Bonds

About (3,5-dimethylphenyl)azanium

(3,5-dimethylphenyl)azanium (PubChem CID 1274251) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is (3,5-dimethylphenyl)azanium.

Molecular Properties

Compound Name(3,5-dimethylphenyl)azanium
PubChem CID1274251
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name(3,5-dimethylphenyl)azanium
SMILESCc1cc(C)cc([NH3+])c1
InChIInChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3/p+1
InChIKeyMKARNSWMMBGSHX-UHFFFAOYSA-O
XLogP1.18
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (3,5-dimethylphenyl)azanium 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

CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
formonitrile;1,3,5-trimethylbenzene
CID 174826910
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
methylboronic acid;tris(1,3,5-trimethylbenzene)
CID 158888379
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
phosphorosomethane;1,3,5-trimethylbenzene
CID 174873264

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)azanium?
The IUPAC name of (3,5-dimethylphenyl)azanium (CID 1274251) is (3,5-dimethylphenyl)azanium.
What is the SMILES notation for (3,5-dimethylphenyl)azanium?
The canonical SMILES for (3,5-dimethylphenyl)azanium is Cc1cc(C)cc([NH3+])c1.
What is the InChIKey of (3,5-dimethylphenyl)azanium?
The InChIKey is MKARNSWMMBGSHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3/p+1.
What are the key properties of (3,5-dimethylphenyl)azanium?
(3,5-dimethylphenyl)azanium has a molecular weight of 122.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)azanium is sourced from PubChem (CID 1274251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).