(2,3-dichlorophenyl)methyl-methylazanium

C8H10Cl2N+ — CID 2060843

IUPAC(2,3-dichlorophenyl)methyl-methylazanium
SMILESC[NH2+]Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3/p+1
InChIKeyGPHWXLUNCPECQB-UHFFFAOYSA-O
MW191.08 g/mol
LogP1.69
Rot. Bonds2

About (2,3-dichlorophenyl)methyl-methylazanium

(2,3-dichlorophenyl)methyl-methylazanium (PubChem CID 2060843) has the molecular formula C8H10Cl2N+ and a molecular weight of 191.08 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methyl-methylazanium.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methyl-methylazanium
PubChem CID2060843
Molecular FormulaC8H10Cl2N+
Molecular Weight191.08 g/mol
Exact Mass190.02
IUPAC Name(2,3-dichlorophenyl)methyl-methylazanium
SMILESC[NH2+]Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3/p+1
InChIKeyGPHWXLUNCPECQB-UHFFFAOYSA-O
XLogP1.69
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (2,3-dichlorophenyl)methyl-methylazanium 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

(2,3-dichlorophenyl)methylazanium
CID 6951258
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
(2-hydroxyphenyl)methyl-methylazanium
CID 36689670
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
1-(2,3-dichlorophenyl)-3-methylbut-3-en-2-one
CID 107308061
2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
CID 151472079
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methyl-methylazanium?
The IUPAC name of (2,3-dichlorophenyl)methyl-methylazanium (CID 2060843) is (2,3-dichlorophenyl)methyl-methylazanium.
What is the SMILES notation for (2,3-dichlorophenyl)methyl-methylazanium?
The canonical SMILES for (2,3-dichlorophenyl)methyl-methylazanium is C[NH2+]Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methyl-methylazanium?
The InChIKey is GPHWXLUNCPECQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3/p+1.
What are the key properties of (2,3-dichlorophenyl)methyl-methylazanium?
(2,3-dichlorophenyl)methyl-methylazanium has a molecular weight of 191.08 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methyl-methylazanium is sourced from PubChem (CID 2060843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).