2,4,5-trimethylaniline;hydrochloride

C9H14ClN — CID 5284470

IUPAC2,4,5-trimethylaniline;hydrochloride
SMILESCc1cc(C)c(N)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H
InChIKeyHPSNPQBFMPYUOD-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.62
Rot. Bonds

About 2,4,5-trimethylaniline;hydrochloride

2,4,5-trimethylaniline;hydrochloride (PubChem CID 5284470) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2,4,5-trimethylaniline;hydrochloride.

Molecular Properties

Compound Name2,4,5-trimethylaniline;hydrochloride
PubChem CID5284470
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2,4,5-trimethylaniline;hydrochloride
SMILESCc1cc(C)c(N)cc1C.Cl
InChIInChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H
InChIKeyHPSNPQBFMPYUOD-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylaniline;hydrochloride?
The IUPAC name of 2,4,5-trimethylaniline;hydrochloride (CID 5284470) is 2,4,5-trimethylaniline;hydrochloride.
What is the SMILES notation for 2,4,5-trimethylaniline;hydrochloride?
The canonical SMILES for 2,4,5-trimethylaniline;hydrochloride is Cc1cc(C)c(N)cc1C.Cl.
What is the InChIKey of 2,4,5-trimethylaniline;hydrochloride?
The InChIKey is HPSNPQBFMPYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H.
What are the key properties of 2,4,5-trimethylaniline;hydrochloride?
2,4,5-trimethylaniline;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylaniline;hydrochloride is sourced from PubChem (CID 5284470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).