2-(2-methylphenoxy)aniline

C13H13NO — CID 19692

IUPAC2-(2-methylphenoxy)aniline
SMILESCc1ccccc1Oc1ccccc1N
InChIInChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3
InChIKeyJYJPXACGURQSCB-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.37
Rot. Bonds2

About 2-(2-methylphenoxy)aniline

2-(2-methylphenoxy)aniline (PubChem CID 19692) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-methylphenoxy)aniline.

Molecular Properties

Compound Name2-(2-methylphenoxy)aniline
PubChem CID19692
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(2-methylphenoxy)aniline
SMILESCc1ccccc1Oc1ccccc1N
InChIInChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3
InChIKeyJYJPXACGURQSCB-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.37
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

Dibenz(B,F)(1,4)Oxazepine
CID 9213
Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
o-Phenetidine
CID 7203
o-Dianisidine dihydrochloride
CID 62311
4-Benzyloxyaniline
CID 22860
Benzenamine, 2-phenoxy-
CID 75899
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
2-Butoxyaniline
CID 138265
3-Benzyloxyaniline
CID 92892
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
5-Chloro-2-(P-tolyloxy)-aniline
CID 855072

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)aniline?
The IUPAC name of 2-(2-methylphenoxy)aniline (CID 19692) is 2-(2-methylphenoxy)aniline.
What is the SMILES notation for 2-(2-methylphenoxy)aniline?
The canonical SMILES for 2-(2-methylphenoxy)aniline is Cc1ccccc1Oc1ccccc1N.
What is the InChIKey of 2-(2-methylphenoxy)aniline?
The InChIKey is JYJPXACGURQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3.
What are the key properties of 2-(2-methylphenoxy)aniline?
2-(2-methylphenoxy)aniline has a molecular weight of 199.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)aniline is sourced from PubChem (CID 19692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).