2-methyl-4-pyridin-3-yloxyaniline;hydrochloride

C12H13ClN2O — CID 156593409

IUPAC2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
SMILESCc1cc(Oc2cccnc2)ccc1N.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11;/h2-8H,13H2,1H3;1H
InChIKeyOWTJDMQAGFLWEO-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.19
Rot. Bonds2

About 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride

2-methyl-4-pyridin-3-yloxyaniline;hydrochloride (PubChem CID 156593409) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
PubChem CID156593409
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
SMILESCc1cc(Oc2cccnc2)ccc1N.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11;/h2-8H,13H2,1H3;1H
InChIKeyOWTJDMQAGFLWEO-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.19
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

2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-(1,2-benzothiazol-3-yloxy)-2-methylaniline
CID 16772594
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride?
The IUPAC name of 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride (CID 156593409) is 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride.
What is the SMILES notation for 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride?
The canonical SMILES for 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride is Cc1cc(Oc2cccnc2)ccc1N.Cl.
What is the InChIKey of 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride?
The InChIKey is OWTJDMQAGFLWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11;/h2-8H,13H2,1H3;1H.
What are the key properties of 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride?
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yloxyaniline;hydrochloride is sourced from PubChem (CID 156593409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).