3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine

C17H27NO2 — CID 104674215

IUPAC3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCCc1ccc(OC2CC(N)C2OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-6-11-7-8-14(12(9-11)17(2,3)4)20-15-10-13(18)16(15)19-5/h7-9,13,15-16H,6,10,18H2,1-5H3
InChIKeyYIQNJCZOCGGMMW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine

3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine (PubChem CID 104674215) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
PubChem CID104674215
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCCc1ccc(OC2CC(N)C2OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-6-11-7-8-14(12(9-11)17(2,3)4)20-15-10-13(18)16(15)19-5/h7-9,13,15-16H,6,10,18H2,1-5H3
InChIKeyYIQNJCZOCGGMMW-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-ethylbenzene
CID 104673759
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104675934
2-(5-ethyl-2-methoxyphenyl)cyclopropan-1-amine
CID 82468880
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-methoxybenzene
CID 104673856
1-(3-chloro-2-methoxycyclobutyl)oxy-4-ethyl-2-nitrobenzene
CID 104674118
2-(4-ethyl-2-methoxyphenoxy)cyclohexan-1-amine
CID 107664389
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674259

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine (CID 104674215) is 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine is CCc1ccc(OC2CC(N)C2OC)c(C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine?
The InChIKey is YIQNJCZOCGGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-11-7-8-14(12(9-11)17(2,3)4)20-15-10-13(18)16(15)19-5/h7-9,13,15-16H,6,10,18H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine?
3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.04, 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-4-ethylphenoxy)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).