3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

C15H22ClNO2 — CID 104675988

IUPAC3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccccc2Cl)C1OCC
InChIInChI=1S/C15H22ClNO2/c1-3-9-17-12-10-14(15(12)18-4-2)19-13-8-6-5-7-11(13)16/h5-8,12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyHGTWWBGNZVAKOI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.26
Rot. Bonds7

About 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (PubChem CID 104675988) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
PubChem CID104675988
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccccc2Cl)C1OCC
InChIInChI=1S/C15H22ClNO2/c1-3-9-17-12-10-14(15(12)18-4-2)19-13-8-6-5-7-11(13)16/h5-8,12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyHGTWWBGNZVAKOI-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104676522
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (CID 104675988) is 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccccc2Cl)C1OCC.
What is the InChIKey of 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The InChIKey is HGTWWBGNZVAKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-9-17-12-10-14(15(12)18-4-2)19-13-8-6-5-7-11(13)16/h5-8,12,14-15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104675988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).