4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine

C16H20N2O — CID 62465294

IUPAC4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C16H20N2O/c1-4-17-16-10-14(5-6-18-16)11-19-15-8-12(2)7-13(3)9-15/h5-10H,4,11H2,1-3H3,(H,17,18)
InChIKeyZFMKOVHXEMTASO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.71
Rot. Bonds5

About 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine

4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 62465294) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID62465294
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C16H20N2O/c1-4-17-16-10-14(5-6-18-16)11-19-15-8-12(2)7-13(3)9-15/h5-10H,4,11H2,1-3H3,(H,17,18)
InChIKeyZFMKOVHXEMTASO-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine (CID 62465294) is 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cc(COc2cc(C)cc(C)c2)ccn1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is ZFMKOVHXEMTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-17-16-10-14(5-6-18-16)11-19-15-8-12(2)7-13(3)9-15/h5-10H,4,11H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62465294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).