4-(2-methoxy-4-methylphenoxy)pyridin-3-amine

C13H14N2O2 — CID 28890242

IUPAC4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
SMILESCOc1cc(C)ccc1Oc1ccncc1N
InChIInChI=1S/C13H14N2O2/c1-9-3-4-12(13(7-9)16-2)17-11-5-6-15-8-10(11)14/h3-8H,14H2,1-2H3
InChIKeyBDPPLNNVNPVPJT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.77
Rot. Bonds3

About 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine

4-(2-methoxy-4-methylphenoxy)pyridin-3-amine (PubChem CID 28890242) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
PubChem CID28890242
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
SMILESCOc1cc(C)ccc1Oc1ccncc1N
InChIInChI=1S/C13H14N2O2/c1-9-3-4-12(13(7-9)16-2)17-11-5-6-15-8-10(11)14/h3-8H,14H2,1-2H3
InChIKeyBDPPLNNVNPVPJT-UHFFFAOYSA-N
XLogP2.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine (CID 28890242) is 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine is COc1cc(C)ccc1Oc1ccncc1N.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine?
The InChIKey is BDPPLNNVNPVPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-4-12(13(7-9)16-2)17-11-5-6-15-8-10(11)14/h3-8H,14H2,1-2H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine?
4-(2-methoxy-4-methylphenoxy)pyridin-3-amine has a molecular weight of 230.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 28890242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).