2,3,5-trimethylbenzene-1,4-diamine;hydrochloride

C9H15ClN2 — CID 87071564

IUPAC2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
SMILESCc1cc(N)c(C)c(C)c1N.Cl
InChIInChI=1S/C9H14N2.ClH/c1-5-4-8(10)6(2)7(3)9(5)11;/h4H,10-11H2,1-3H3;1H
InChIKeyBEHLGPAKEMNCPQ-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.20
Rot. Bonds

About 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride

2,3,5-trimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 87071564) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
PubChem CID87071564
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
SMILESCc1cc(N)c(C)c(C)c1N.Cl
InChIInChI=1S/C9H14N2.ClH/c1-5-4-8(10)6(2)7(3)9(5)11;/h4H,10-11H2,1-3H3;1H
InChIKeyBEHLGPAKEMNCPQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride 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

2,3,4,6-tetramethylaniline;hydrochloride
CID 173462147
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202
2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
CID 19003912
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
3,6-dimethylbenzene-1,2-diamine;2,4,6-trimethylbenzene-1,3-diamine
CID 161457493
(3-amino-2,4,6-trimethylphenyl)azanium
CID 145475903
6-methylnaphthalene-1,2,4,5,8-pentamine
CID 167260619
3,4-dichloro-2,5-dimethylaniline
CID 19096888
2,3,4,5,6-pentamethylaniline;hydrochloride
CID 139747221
1,4-dimethylnaphthalene-2,6-diamine
CID 139601162
anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
CID 173428385
2,3,5,6-tetramethylaniline
CID 3456097

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride (CID 87071564) is 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride is Cc1cc(N)c(C)c(C)c1N.Cl.
What is the InChIKey of 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is BEHLGPAKEMNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.ClH/c1-5-4-8(10)6(2)7(3)9(5)11;/h4H,10-11H2,1-3H3;1H.
What are the key properties of 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride?
2,3,5-trimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 186.69 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 87071564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).