[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine

C11H15ClN2O — CID 175970381

IUPAC[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine
SMILESCOC1CC(CN)(c2ncccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c1-15-8-5-11(6-8,7-13)10-9(12)3-2-4-14-10/h2-4,8H,5-7,13H2,1H3
InChIKeyCVMAGVDNIYVWOU-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.74
Rot. Bonds3

About [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine

[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine (PubChem CID 175970381) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine
PubChem CID175970381
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine
SMILESCOC1CC(CN)(c2ncccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c1-15-8-5-11(6-8,7-13)10-9(12)3-2-4-14-10/h2-4,8H,5-7,13H2,1H3
InChIKeyCVMAGVDNIYVWOU-UHFFFAOYSA-N
XLogP1.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine (CID 175970381) is [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine is COC1CC(CN)(c2ncccc2Cl)C1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine?
The InChIKey is CVMAGVDNIYVWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-8-5-11(6-8,7-13)10-9(12)3-2-4-14-10/h2-4,8H,5-7,13H2,1H3.
What are the key properties of [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine?
[1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine has a molecular weight of 226.71 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)-3-methoxycyclobutyl]methanamine is sourced from PubChem (CID 175970381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).