1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine

C15H25ClN2O — CID 62291293

IUPAC1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCCCCC(CC)COc1ncc(CNC)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-6-7-12(5-2)11-19-15-14(16)8-13(9-17-3)10-18-15/h8,10,12,17H,4-7,9,11H2,1-3H3
InChIKeyZKQYMWPOTZLZJK-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.05
Rot. Bonds9

About 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62291293) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62291293
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCCCCC(CC)COc1ncc(CNC)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-6-7-12(5-2)11-19-15-14(16)8-13(9-17-3)10-18-15/h8,10,12,17H,4-7,9,11H2,1-3H3
InChIKeyZKQYMWPOTZLZJK-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
CID 106777323

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine (CID 62291293) is 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine is CCCCC(CC)COc1ncc(CNC)cc1Cl.
What is the InChIKey of 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZKQYMWPOTZLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-6-7-12(5-2)11-19-15-14(16)8-13(9-17-3)10-18-15/h8,10,12,17H,4-7,9,11H2,1-3H3.
What are the key properties of 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 284.83 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).