5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine

C17H21ClN2O — CID 63484955

IUPAC5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C17H21ClN2O/c1-5-19-17-7-6-14(18)15(20-17)10-21-16-9-11(2)8-12(3)13(16)4/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyHMUHCLJIJYEADI-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.67
Rot. Bonds5

About 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine (PubChem CID 63484955) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
PubChem CID63484955
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C17H21ClN2O/c1-5-19-17-7-6-14(18)15(20-17)10-21-16-9-11(2)8-12(3)13(16)4/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyHMUHCLJIJYEADI-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine (CID 63484955) is 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(COc2cc(C)cc(C)c2C)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine?
The InChIKey is HMUHCLJIJYEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-5-19-17-7-6-14(18)15(20-17)10-21-16-9-11(2)8-12(3)13(16)4/h6-9H,5,10H2,1-4H3,(H,19,20).
What are the key properties of 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine has a molecular weight of 304.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 63484955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).