2-methyl-3-phenoxyaniline;hydrochloride

C13H14ClNO — CID 142758143

IUPAC2-methyl-3-phenoxyaniline;hydrochloride
SMILESCc1c(N)cccc1Oc1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11;/h2-9H,14H2,1H3;1H
InChIKeyXAJQAWPAQCQAMC-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.79
Rot. Bonds2

About 2-methyl-3-phenoxyaniline;hydrochloride

2-methyl-3-phenoxyaniline;hydrochloride (PubChem CID 142758143) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-methyl-3-phenoxyaniline;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-phenoxyaniline;hydrochloride
PubChem CID142758143
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-methyl-3-phenoxyaniline;hydrochloride
SMILESCc1c(N)cccc1Oc1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11;/h2-9H,14H2,1H3;1H
InChIKeyXAJQAWPAQCQAMC-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
1-fluoro-2-methyl-3-(3-phenoxyphenoxy)benzene
CID 141038647
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
ethane;1-methyl-2-phenoxybenzene
CID 90950955
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxyaniline;hydrochloride?
The IUPAC name of 2-methyl-3-phenoxyaniline;hydrochloride (CID 142758143) is 2-methyl-3-phenoxyaniline;hydrochloride.
What is the SMILES notation for 2-methyl-3-phenoxyaniline;hydrochloride?
The canonical SMILES for 2-methyl-3-phenoxyaniline;hydrochloride is Cc1c(N)cccc1Oc1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-phenoxyaniline;hydrochloride?
The InChIKey is XAJQAWPAQCQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-10-12(14)8-5-9-13(10)15-11-6-3-2-4-7-11;/h2-9H,14H2,1H3;1H.
What are the key properties of 2-methyl-3-phenoxyaniline;hydrochloride?
2-methyl-3-phenoxyaniline;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxyaniline;hydrochloride is sourced from PubChem (CID 142758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).