1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine

C15H25ClN2O — CID 55194459

IUPAC1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
SMILESCCCCCCCCOc1ccc(Cl)c(CNC)n1
InChIInChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(16)14(18-15)12-17-2/h9-10,17H,3-8,11-12H2,1-2H3
InChIKeyAFYFJSNNFQWZNI-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.19
Rot. Bonds10

About 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine

1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 55194459) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
PubChem CID55194459
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
SMILESCCCCCCCCOc1ccc(Cl)c(CNC)n1
InChIInChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(16)14(18-15)12-17-2/h9-10,17H,3-8,11-12H2,1-2H3
InChIKeyAFYFJSNNFQWZNI-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 112589608
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297186
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
N-[[3-chloro-6-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 82792522
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine (CID 55194459) is 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine is CCCCCCCCOc1ccc(Cl)c(CNC)n1.
What is the InChIKey of 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is AFYFJSNNFQWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-11-19-15-10-9-13(16)14(18-15)12-17-2/h9-10,17H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine?
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 284.83 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 55194459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).