3,5-dimethyl-4-pyridin-2-yloxyaniline

C13H14N2O — CID 129016357

IUPAC3,5-dimethyl-4-pyridin-2-yloxyaniline
SMILESCc1cc(N)cc(C)c1Oc1ccccn1
InChIInChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)16-12-5-3-4-6-15-12/h3-8H,14H2,1-2H3
InChIKeyMORCMJKHVDGJEB-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.07
Rot. Bonds2

About 3,5-dimethyl-4-pyridin-2-yloxyaniline

3,5-dimethyl-4-pyridin-2-yloxyaniline (PubChem CID 129016357) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyridin-2-yloxyaniline.

Molecular Properties

Compound Name3,5-dimethyl-4-pyridin-2-yloxyaniline
PubChem CID129016357
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3,5-dimethyl-4-pyridin-2-yloxyaniline
SMILESCc1cc(N)cc(C)c1Oc1ccccn1
InChIInChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)16-12-5-3-4-6-15-12/h3-8H,14H2,1-2H3
InChIKeyMORCMJKHVDGJEB-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyridin-2-yloxyaniline?
The IUPAC name of 3,5-dimethyl-4-pyridin-2-yloxyaniline (CID 129016357) is 3,5-dimethyl-4-pyridin-2-yloxyaniline.
What is the SMILES notation for 3,5-dimethyl-4-pyridin-2-yloxyaniline?
The canonical SMILES for 3,5-dimethyl-4-pyridin-2-yloxyaniline is Cc1cc(N)cc(C)c1Oc1ccccn1.
What is the InChIKey of 3,5-dimethyl-4-pyridin-2-yloxyaniline?
The InChIKey is MORCMJKHVDGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)16-12-5-3-4-6-15-12/h3-8H,14H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-pyridin-2-yloxyaniline?
3,5-dimethyl-4-pyridin-2-yloxyaniline has a molecular weight of 214.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyridin-2-yloxyaniline is sourced from PubChem (CID 129016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).