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'}

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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).