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

C15H17ClN2O — CID 55058407

IUPACN-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccccc2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-17-9-12-8-13(16)15(18-10-12)19-14-7-5-4-6-11(14)2/h4-8,10,17H,3,9H2,1-2H3
InChIKeyNYKHGPYKEWYSJW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.95
Rot. Bonds5

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

N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 55058407) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID55058407
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccccc2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-17-9-12-8-13(16)15(18-10-12)19-14-7-5-4-6-11(14)2/h4-8,10,17H,3,9H2,1-2H3
InChIKeyNYKHGPYKEWYSJW-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 55058407) is N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2ccccc2C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is NYKHGPYKEWYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-17-9-12-8-13(16)15(18-10-12)19-14-7-5-4-6-11(14)2/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).