6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine

C19H26N2O2 — CID 59687013

IUPAC6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine
SMILESCCc1cc(-c2cccc(N)n2)c(OC)cc1OCCC(C)C
InChIInChI=1S/C19H26N2O2/c1-5-14-11-15(16-7-6-8-19(20)21-16)18(22-4)12-17(14)23-10-9-13(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,20,21)
InChIKeyINUAIBKCAZSFIZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.33
Rot. Bonds7

About 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine

6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine (PubChem CID 59687013) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine
PubChem CID59687013
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine
SMILESCCc1cc(-c2cccc(N)n2)c(OC)cc1OCCC(C)C
InChIInChI=1S/C19H26N2O2/c1-5-14-11-15(16-7-6-8-19(20)21-16)18(22-4)12-17(14)23-10-9-13(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,20,21)
InChIKeyINUAIBKCAZSFIZ-UHFFFAOYSA-N
XLogP4.33
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine (CID 59687013) is 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine is CCc1cc(-c2cccc(N)n2)c(OC)cc1OCCC(C)C.
What is the InChIKey of 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine?
The InChIKey is INUAIBKCAZSFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-14-11-15(16-7-6-8-19(20)21-16)18(22-4)12-17(14)23-10-9-13(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,20,21).
What are the key properties of 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine?
6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine has a molecular weight of 314.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-ethyl-2-methoxy-4-(3-methylbutoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 59687013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).