5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine

C13H13ClN2O — CID 62887232

IUPAC5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(OCc2nc(N)ccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-9-2-4-10(5-3-9)17-8-12-11(14)6-7-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyJUTFDKWWFXDNPE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.20
Rot. Bonds3

About 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine

5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine (PubChem CID 62887232) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
PubChem CID62887232
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(OCc2nc(N)ccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-9-2-4-10(5-3-9)17-8-12-11(14)6-7-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyJUTFDKWWFXDNPE-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794
5-chloro-6-[(3,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55127269
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
5-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyridin-2-amine
CID 62885826
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
CID 55192325
5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62885987
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
CID 55127310
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
5-chloro-6-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62886850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine (CID 62887232) is 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine is Cc1ccc(OCc2nc(N)ccc2Cl)cc1.
What is the InChIKey of 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine?
The InChIKey is JUTFDKWWFXDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-2-4-10(5-3-9)17-8-12-11(14)6-7-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine has a molecular weight of 248.71 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62887232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).