3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine

C17H27NO2 — CID 107943234

IUPAC3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H27NO2/c1-5-7-19-17-15(18-6-2)11-16(17)20-14-9-12(3)8-13(4)10-14/h8-10,15-18H,5-7,11H2,1-4H3
InChIKeyKUADSPJSHNTLPO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.23
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine

3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine (PubChem CID 107943234) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
PubChem CID107943234
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H27NO2/c1-5-7-19-17-15(18-6-2)11-16(17)20-14-9-12(3)8-13(4)10-14/h8-10,15-18H,5-7,11H2,1-4H3
InChIKeyKUADSPJSHNTLPO-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
CID 107943876
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943835

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine (CID 107943234) is 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The InChIKey is KUADSPJSHNTLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-19-17-15(18-6-2)11-16(17)20-14-9-12(3)8-13(4)10-14/h8-10,15-18H,5-7,11H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).