3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine

C15H18N2O — CID 62464069

IUPAC3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1COc1cccc(C)c1C
InChIInChI=1S/C15H18N2O/c1-11-6-4-8-14(12(11)2)18-10-13-7-5-9-17-15(13)16-3/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyVHNOHEDQPMJUIR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds4

About 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine

3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 62464069) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID62464069
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1COc1cccc(C)c1C
InChIInChI=1S/C15H18N2O/c1-11-6-4-8-14(12(11)2)18-10-13-7-5-9-17-15(13)16-3/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyVHNOHEDQPMJUIR-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine (CID 62464069) is 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine is CNc1ncccc1COc1cccc(C)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is VHNOHEDQPMJUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-4-8-14(12(11)2)18-10-13-7-5-9-17-15(13)16-3/h4-9H,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine?
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62464069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).