[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine

C13H13ClN2O — CID 102724765

IUPAC[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCc1cccc(Oc2ccc(CN)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O/c1-9-3-2-4-13(16-9)17-11-6-5-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3
InChIKeyKRDFEASYAYQCCC-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.29
Rot. Bonds3

About [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine

[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 102724765) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID102724765
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCc1cccc(Oc2ccc(CN)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2O/c1-9-3-2-4-13(16-9)17-11-6-5-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3
InChIKeyKRDFEASYAYQCCC-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
CID 107875401
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
[3,5-dimethyl-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 65471008
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
CID 102724687

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine (CID 102724765) is [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine is Cc1cccc(Oc2ccc(CN)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is KRDFEASYAYQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-3-2-4-13(16-9)17-11-6-5-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3.
What are the key properties of [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine?
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 248.71 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 102724765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).