3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine

C12H17ClN2O — CID 66352041

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(2)10(14)5-11(12)16-9-4-8(13)6-15-7-9/h4,6-7,10-11H,3,5,14H2,1-2H3
InChIKeyRSFVAJVIHAPUBD-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.63
Rot. Bonds3

About 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine

3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 66352041) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID66352041
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(2)10(14)5-11(12)16-9-4-8(13)6-15-7-9/h4,6-7,10-11H,3,5,14H2,1-2H3
InChIKeyRSFVAJVIHAPUBD-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine (CID 66352041) is 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is RSFVAJVIHAPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-12(2)10(14)5-11(12)16-9-4-8(13)6-15-7-9/h4,6-7,10-11H,3,5,14H2,1-2H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine?
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 240.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66352041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).