3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

C17H27NO2 — CID 104676314

IUPAC3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-6-19-16-14(18-5)11-15(16)20-13-9-7-8-12(10-13)17(2,3)4/h7-10,14-16,18H,6,11H2,1-5H3
InChIKeyAWPOGKPEVMUJMW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds5

About 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (PubChem CID 104676314) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
PubChem CID104676314
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-6-19-16-14(18-5)11-15(16)20-13-9-7-8-12(10-13)17(2,3)4/h7-10,14-16,18H,6,11H2,1-5H3
InChIKeyAWPOGKPEVMUJMW-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
CID 104676309
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79835479
2-methoxy-N-methyl-3-phenoxycyclobutan-1-amine
CID 104674319
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (CID 104676314) is 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The InChIKey is AWPOGKPEVMUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-19-16-14(18-5)11-15(16)20-13-9-7-8-12(10-13)17(2,3)4/h7-10,14-16,18H,6,11H2,1-5H3.
What are the key properties of 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).