N-methyl-2-phenoxyaniline

C13H13NO — CID 22961955

IUPACN-methyl-2-phenoxyaniline
SMILESCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H13NO/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyKWLMNTMQLZGMDL-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.52
Rot. Bonds3

About N-methyl-2-phenoxyaniline

N-methyl-2-phenoxyaniline (PubChem CID 22961955) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methyl-2-phenoxyaniline.

Molecular Properties

Compound NameN-methyl-2-phenoxyaniline
PubChem CID22961955
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-methyl-2-phenoxyaniline
SMILESCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H13NO/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyKWLMNTMQLZGMDL-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
2-(3-methoxy-5-methylphenoxy)-N-methylaniline
CID 176939009
(2-phenoxyphenyl)cyanamide
CID 62482258
N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
CID 102867685
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
N,2-dimethyl-8-phenoxyquinolin-4-amine
CID 63481310
ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline
CID 169183134
6-chloro-N-(2-phenoxyphenyl)pyridazin-3-amine
CID 43329642
6-bromo-N-(2-phenoxyphenyl)pyridin-2-amine
CID 63963847

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxyaniline?
The IUPAC name of N-methyl-2-phenoxyaniline (CID 22961955) is N-methyl-2-phenoxyaniline.
What is the SMILES notation for N-methyl-2-phenoxyaniline?
The canonical SMILES for N-methyl-2-phenoxyaniline is CNc1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-2-phenoxyaniline?
The InChIKey is KWLMNTMQLZGMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of N-methyl-2-phenoxyaniline?
N-methyl-2-phenoxyaniline has a molecular weight of 199.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxyaniline is sourced from PubChem (CID 22961955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).