2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine

C10H13ClN2O — CID 103067305

IUPAC2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cncc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-8(4-12-2)7-14-10-3-9(11)5-13-6-10/h3,5-6,12H,1,4,7H2,2H3
InChIKeyYYSKUURAIOFIGX-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.89
Rot. Bonds5

About 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine

2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine (PubChem CID 103067305) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine
PubChem CID103067305
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cncc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-8(4-12-2)7-14-10-3-9(11)5-13-6-10/h3,5-6,12H,1,4,7H2,2H3
InChIKeyYYSKUURAIOFIGX-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxymethyl]prop-2-ene-1-thiol
CID 103073821
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
3-chloro-5-(2-chloroethoxy)pyridine
CID 10559633
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066911
3-chloro-5-(4-chlorobutoxy)pyridine
CID 64601364
2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
CID 107709367
1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 64599895
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
tert-butyl 3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 116659230
methyl 2-bromo-3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 81092460
3-[2-(methylaminomethyl)prop-2-enoxy]benzonitrile
CID 103066368

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine (CID 103067305) is 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine?
The InChIKey is YYSKUURAIOFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(4-12-2)7-14-10-3-9(11)5-13-6-10/h3,5-6,12H,1,4,7H2,2H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine?
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine has a molecular weight of 212.68 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103067305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).