N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine

C15H16Cl2N2O — CID 80635568

IUPACN-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-18-8-11-7-10(2)15(19-9-11)20-13-6-4-5-12(16)14(13)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyKKQSGTPDZBWEBD-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.60
Rot. Bonds5

About N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80635568) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80635568
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-18-8-11-7-10(2)15(19-9-11)20-13-6-4-5-12(16)14(13)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyKKQSGTPDZBWEBD-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
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-[[5-methyl-6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 80637131

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80635568) is N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1.
What is the InChIKey of N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is KKQSGTPDZBWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-18-8-11-7-10(2)15(19-9-11)20-13-6-4-5-12(16)14(13)17/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80635568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).