2,4-dimethoxyaniline;hydrochloride

C8H12ClNO2 — CID 5284385

IUPAC2,4-dimethoxyaniline;hydrochloride
SMILESCOc1ccc(N)c(OC)c1.Cl
InChIInChI=1S/C8H11NO2.ClH/c1-10-6-3-4-7(9)8(5-6)11-2;/h3-5H,9H2,1-2H3;1H
InChIKeyPFHRGNBFRBWOPD-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.71
Rot. Bonds2

About 2,4-dimethoxyaniline;hydrochloride

2,4-dimethoxyaniline;hydrochloride (PubChem CID 5284385) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2,4-dimethoxyaniline;hydrochloride.

Molecular Properties

Compound Name2,4-dimethoxyaniline;hydrochloride
PubChem CID5284385
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2,4-dimethoxyaniline;hydrochloride
SMILESCOc1ccc(N)c(OC)c1.Cl
InChIInChI=1S/C8H11NO2.ClH/c1-10-6-3-4-7(9)8(5-6)11-2;/h3-5H,9H2,1-2H3;1H
InChIKeyPFHRGNBFRBWOPD-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

P-Anisidine
CID 7732
2-Methoxyaniline
CID 7000
2,4-Diaminoanisole
CID 11976
o-Phenetidine
CID 7203
2,4-Dimethoxyaniline
CID 17652
5-Chloro-2,4-dimethoxyaniline
CID 66807
4-Anisidine hydrochloride
CID 2734956
2-Anisidine hydrochloride
CID 8638
2,4-Diaminoanisole Dihydrochloride
CID 11975
5-Methoxy-2-nitrosophenol
CID 83801
2-Butoxyaniline
CID 138265
3,5-Dimethoxyaniline
CID 66301

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxyaniline;hydrochloride?
The IUPAC name of 2,4-dimethoxyaniline;hydrochloride (CID 5284385) is 2,4-dimethoxyaniline;hydrochloride.
What is the SMILES notation for 2,4-dimethoxyaniline;hydrochloride?
The canonical SMILES for 2,4-dimethoxyaniline;hydrochloride is COc1ccc(N)c(OC)c1.Cl.
What is the InChIKey of 2,4-dimethoxyaniline;hydrochloride?
The InChIKey is PFHRGNBFRBWOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c1-10-6-3-4-7(9)8(5-6)11-2;/h3-5H,9H2,1-2H3;1H.
What are the key properties of 2,4-dimethoxyaniline;hydrochloride?
2,4-dimethoxyaniline;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyaniline;hydrochloride is sourced from PubChem (CID 5284385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).