2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine

C11H15ClN2O — CID 65495416

IUPAC2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cncc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c12-9-5-10(7-14-6-9)15-8-11(1-2-11)3-4-13/h5-7H,1-4,8,13H2
InChIKeyPHTJOHQQIDWCLK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.24
Rot. Bonds5

About 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine

2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine (PubChem CID 65495416) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine
PubChem CID65495416
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2cncc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c12-9-5-10(7-14-6-9)15-8-11(1-2-11)3-4-13/h5-7H,1-4,8,13H2
InChIKeyPHTJOHQQIDWCLK-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine (CID 65495416) is 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine is NCCC1(COc2cncc(Cl)c2)CC1.
What is the InChIKey of 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine?
The InChIKey is PHTJOHQQIDWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-5-10(7-14-6-9)15-8-11(1-2-11)3-4-13/h5-7H,1-4,8,13H2.
What are the key properties of 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine?
2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine has a molecular weight of 226.71 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65495416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).