3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine

C13H19ClN2O — CID 66352042

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-13(2)11(15-3)6-12(13)17-10-5-9(14)7-16-8-10/h5,7-8,11-12,15H,4,6H2,1-3H3
InChIKeyZHOHZKYUODSCPP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.89
Rot. Bonds4

About 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66352042) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66352042
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-13(2)11(15-3)6-12(13)17-10-5-9(14)7-16-8-10/h5,7-8,11-12,15H,4,6H2,1-3H3
InChIKeyZHOHZKYUODSCPP-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.89
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-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66352042) is 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is ZHOHZKYUODSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-13(2)11(15-3)6-12(13)17-10-5-9(14)7-16-8-10/h5,7-8,11-12,15H,4,6H2,1-3H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 254.76 g/mol, XLogP of 2.89, 4 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-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66352042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).