3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine

C16H25NO2 — CID 104675934

IUPAC3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-5-18-15-12(17)10-14(15)19-13-9-7-6-8-11(13)16(2,3)4/h6-9,12,14-15H,5,10,17H2,1-4H3
InChIKeyGQHPVLLRXLQNKP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

About 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine

3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine (PubChem CID 104675934) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
PubChem CID104675934
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-5-18-15-12(17)10-14(15)19-13-9-7-6-8-11(13)16(2,3)4/h6-9,12,14-15H,5,10,17H2,1-4H3
InChIKeyGQHPVLLRXLQNKP-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104676300
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
CID 113439648
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
CID 113439682
3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674215
2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
CID 113440032
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 104675953

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine (CID 104675934) is 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine is CCOC1C(N)CC1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine?
The InChIKey is GQHPVLLRXLQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-18-15-12(17)10-14(15)19-13-9-7-6-8-11(13)16(2,3)4/h6-9,12,14-15H,5,10,17H2,1-4H3.
What are the key properties of 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine?
3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine is sourced from PubChem (CID 104675934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).