1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine

C13H21ClN2O2 — CID 112589608

IUPAC1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCCOC(C)(C)C)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-13(2,3)18-8-7-17-12-6-5-10(14)11(16-12)9-15-4/h5-6,15H,7-9H2,1-4H3
InChIKeyNNUDGFGVKDFTQS-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 112589608) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID112589608
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCCOC(C)(C)C)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-13(2,3)18-8-7-17-12-6-5-10(14)11(16-12)9-15-4/h5-6,15H,7-9H2,1-4H3
InChIKeyNNUDGFGVKDFTQS-UHFFFAOYSA-N
XLogP2.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297186
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112587541
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-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 55066112
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
N-[[3-chloro-6-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62292539
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine (CID 112589608) is 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine is CNCc1nc(OCCOC(C)(C)C)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is NNUDGFGVKDFTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-13(2,3)18-8-7-17-12-6-5-10(14)11(16-12)9-15-4/h5-6,15H,7-9H2,1-4H3.
What are the key properties of 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 272.78 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 112589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).