6-[(3-ethylphenoxy)methyl]pyridin-2-amine

C14H16N2O — CID 79239703

IUPAC6-[(3-ethylphenoxy)methyl]pyridin-2-amine
SMILESCCc1cccc(OCc2cccc(N)n2)c1
InChIInChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3,(H2,15,16)
InChIKeyYKFUXIVUTAZSNZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.81
Rot. Bonds4

About 6-[(3-ethylphenoxy)methyl]pyridin-2-amine

6-[(3-ethylphenoxy)methyl]pyridin-2-amine (PubChem CID 79239703) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[(3-ethylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3-ethylphenoxy)methyl]pyridin-2-amine
PubChem CID79239703
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-[(3-ethylphenoxy)methyl]pyridin-2-amine
SMILESCCc1cccc(OCc2cccc(N)n2)c1
InChIInChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3,(H2,15,16)
InChIKeyYKFUXIVUTAZSNZ-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine (CID 79239703) is 6-[(3-ethylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine is CCc1cccc(OCc2cccc(N)n2)c1.
What is the InChIKey of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The InChIKey is YKFUXIVUTAZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3,(H2,15,16).
What are the key properties of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
6-[(3-ethylphenoxy)methyl]pyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).