N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine

C15H16Cl2N2O — CID 81251160

IUPACN-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-13(16)14(17)7-12/h4-7,9,18H,3,8H2,1-2H3
InChIKeyWZINIEYGYSOGFV-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.60
Rot. Bonds5

About N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81251160) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81251160
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-13(16)14(17)7-12/h4-7,9,18H,3,8H2,1-2H3
InChIKeyWZINIEYGYSOGFV-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

Analyze N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81255357
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81253885
N-[(6-methyl-4-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 81253720
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81346614

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81251160) is N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is WZINIEYGYSOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-18-8-11-9-19-10(2)6-15(11)20-12-4-5-13(16)14(17)7-12/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(3,4-dichlorophenoxy)-6-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-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81251160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).