3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C11H17ClN2O — CID 81234059

IUPAC3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccncc1CCl
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-3-7-15-11-4-5-13-9-10(11)8-12/h4-5,9H,3,6-8H2,1-2H3
InChIKeyCJQGQHOJWJLRDW-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.15
Rot. Bonds6

About 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 81234059) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID81234059
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccncc1CCl
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-3-7-15-11-4-5-13-9-10(11)8-12/h4-5,9H,3,6-8H2,1-2H3
InChIKeyCJQGQHOJWJLRDW-UHFFFAOYSA-N
XLogP2.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 81234059) is 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccncc1CCl.
What is the InChIKey of 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is CJQGQHOJWJLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(2)6-3-7-15-11-4-5-13-9-10(11)8-12/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 228.72 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 81234059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).