1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

C12H19ClN2O — CID 79679766

IUPAC1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1ncccc1CCl
InChIInChI=1S/C12H19ClN2O/c1-12(2,15(3)4)9-16-11-10(8-13)6-5-7-14-11/h5-7H,8-9H2,1-4H3
InChIKeySPOADLFLJKKPGJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.54
Rot. Bonds5

About 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79679766) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79679766
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1ncccc1CCl
InChIInChI=1S/C12H19ClN2O/c1-12(2,15(3)4)9-16-11-10(8-13)6-5-7-14-11/h5-7H,8-9H2,1-4H3
InChIKeySPOADLFLJKKPGJ-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (CID 79679766) is 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1ncccc1CCl.
What is the InChIKey of 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is SPOADLFLJKKPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,15(3)4)9-16-11-10(8-13)6-5-7-14-11/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 242.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79679766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).