3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine

C17H27NO2 — CID 104676300

IUPAC3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-6-19-16-13(18)10-15(16)20-14-9-11(2)7-8-12(14)17(3,4)5/h7-9,13,15-16H,6,10,18H2,1-5H3
InChIKeyXYRCSJFKVYVZRH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds4

About 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine

3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine (PubChem CID 104676300) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
PubChem CID104676300
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-6-19-16-13(18)10-15(16)20-14-9-11(2)7-8-12(14)17(3,4)5/h7-9,13,15-16H,6,10,18H2,1-5H3
InChIKeyXYRCSJFKVYVZRH-UHFFFAOYSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104675934
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674215
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
CID 104675645
3-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
CID 104676585
2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
CID 113440032
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine (CID 104676300) is 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine is CCOC1C(N)CC1Oc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine?
The InChIKey is XYRCSJFKVYVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-19-16-13(18)10-15(16)20-14-9-11(2)7-8-12(14)17(3,4)5/h7-9,13,15-16H,6,10,18H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine?
3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine is sourced from PubChem (CID 104676300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).