3,5-dimethoxy-2-methylaniline;hydrochloride

C9H14ClNO2 — CID 91663006

IUPAC3,5-dimethoxy-2-methylaniline;hydrochloride
SMILESCOc1cc(N)c(C)c(OC)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6-8(10)4-7(11-2)5-9(6)12-3;/h4-5H,10H2,1-3H3;1H
InChIKeyJKUCWHZYHFVJKU-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.02
Rot. Bonds2

About 3,5-dimethoxy-2-methylaniline;hydrochloride

3,5-dimethoxy-2-methylaniline;hydrochloride (PubChem CID 91663006) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 3,5-dimethoxy-2-methylaniline;hydrochloride.

Molecular Properties

Compound Name3,5-dimethoxy-2-methylaniline;hydrochloride
PubChem CID91663006
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name3,5-dimethoxy-2-methylaniline;hydrochloride
SMILESCOc1cc(N)c(C)c(OC)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6-8(10)4-7(11-2)5-9(6)12-3;/h4-5H,10H2,1-3H3;1H
InChIKeyJKUCWHZYHFVJKU-UHFFFAOYSA-N
XLogP2.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-2-methylaniline;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

5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
CID 69381099
5-chloro-3-methoxy-2-methylaniline
CID 97179579
5-bromo-3-methoxy-2-methylaniline
CID 27274725
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
3,5-dimethoxy-2-propylaniline
CID 141261453
1-(3,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 84666309
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
(3,5-dimethoxy-2-methylphenyl)methanediol
CID 123413723
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-methylaniline;hydrochloride?
The IUPAC name of 3,5-dimethoxy-2-methylaniline;hydrochloride (CID 91663006) is 3,5-dimethoxy-2-methylaniline;hydrochloride.
What is the SMILES notation for 3,5-dimethoxy-2-methylaniline;hydrochloride?
The canonical SMILES for 3,5-dimethoxy-2-methylaniline;hydrochloride is COc1cc(N)c(C)c(OC)c1.Cl.
What is the InChIKey of 3,5-dimethoxy-2-methylaniline;hydrochloride?
The InChIKey is JKUCWHZYHFVJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-6-8(10)4-7(11-2)5-9(6)12-3;/h4-5H,10H2,1-3H3;1H.
What are the key properties of 3,5-dimethoxy-2-methylaniline;hydrochloride?
3,5-dimethoxy-2-methylaniline;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-methylaniline;hydrochloride is sourced from PubChem (CID 91663006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).