N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine

C16H20N2O2 — CID 107669687

IUPACN-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(CC)cc2OC)c1
InChIInChI=1S/C16H20N2O2/c1-4-12-6-7-15(16(8-12)19-3)20-14-9-13(18-5-2)10-17-11-14/h6-11,18H,4-5H2,1-3H3
InChIKeyDDWOOPQKVFUSHQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine

N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine (PubChem CID 107669687) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
PubChem CID107669687
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(CC)cc2OC)c1
InChIInChI=1S/C16H20N2O2/c1-4-12-6-7-15(16(8-12)19-3)20-14-9-13(18-5-2)10-17-11-14/h6-11,18H,4-5H2,1-3H3
InChIKeyDDWOOPQKVFUSHQ-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine (CID 107669687) is N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine is CCNc1cncc(Oc2ccc(CC)cc2OC)c1.
What is the InChIKey of N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine?
The InChIKey is DDWOOPQKVFUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-12-6-7-15(16(8-12)19-3)20-14-9-13(18-5-2)10-17-11-14/h6-11,18H,4-5H2,1-3H3.
What are the key properties of N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine?
N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine is sourced from PubChem (CID 107669687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).