2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

C15H17ClN2O — CID 102878213

IUPAC2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2cccc(Cl)c2CCN)c1
InChIInChI=1S/C15H17ClN2O/c1-11-7-12(9-18-8-11)10-19-15-4-2-3-14(16)13(15)5-6-17/h2-4,7-9H,5-6,10,17H2,1H3
InChIKeyWADDEENBGLLSSI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 102878213) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID102878213
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2cccc(Cl)c2CCN)c1
InChIInChI=1S/C15H17ClN2O/c1-11-7-12(9-18-8-11)10-19-15-4-2-3-14(16)13(15)5-6-17/h2-4,7-9H,5-6,10,17H2,1H3
InChIKeyWADDEENBGLLSSI-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
CID 42851667
3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
CID 102878125
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103864362

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (CID 102878213) is 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is Cc1cncc(COc2cccc(Cl)c2CCN)c1.
What is the InChIKey of 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is WADDEENBGLLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-7-12(9-18-8-11)10-19-15-4-2-3-14(16)13(15)5-6-17/h2-4,7-9H,5-6,10,17H2,1H3.
What are the key properties of 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102878213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).