5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine

C13H13ClN2O — CID 55044923

IUPAC5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2ccccc2Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-15-13-7-6-10(8-16-13)9-17-12-5-3-2-4-11(12)14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyAGDDFQJDYJBZON-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.36
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine

5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 55044923) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID55044923
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2ccccc2Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-15-13-7-6-10(8-16-13)9-17-12-5-3-2-4-11(12)14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyAGDDFQJDYJBZON-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
N-methyl-5-(quinolin-8-yloxymethyl)pyridin-2-amine
CID 62194480
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
5-[(2,4-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62193335
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
N-methyl-5-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 55045216
N-methyl-5-(2-phenylethoxymethyl)pyridin-2-amine
CID 114996967
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
[5-[(2-iodophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246023

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine (CID 55044923) is 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine is CNc1ccc(COc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is AGDDFQJDYJBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-13-7-6-10(8-16-13)9-17-12-5-3-2-4-11(12)14/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine?
5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 248.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55044923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).