2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine

C15H17ClN2O — CID 80639335

IUPAC2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncc(CCN)cc2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-14(13(16)7-10)19-15-11(2)8-12(5-6-17)9-18-15/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyQEBMKUXKDSXKNT-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.65
Rot. Bonds4

About 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine

2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80639335) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80639335
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncc(CCN)cc2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-14(13(16)7-10)19-15-11(2)8-12(5-6-17)9-18-15/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyQEBMKUXKDSXKNT-UHFFFAOYSA-N
XLogP3.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635567

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine (CID 80639335) is 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine is Cc1ccc(Oc2ncc(CCN)cc2C)c(Cl)c1.
What is the InChIKey of 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is QEBMKUXKDSXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-3-4-14(13(16)7-10)19-15-11(2)8-12(5-6-17)9-18-15/h3-4,7-9H,5-6,17H2,1-2H3.
What are the key properties of 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80639335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).