2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine

C15H23NO2 — CID 104675953

IUPAC2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-4-17-15-13(16)9-14(15)18-12-7-5-6-11(8-12)10(2)3/h5-8,10,13-15H,4,9,16H2,1-3H3
InChIKeyKTVYOONJXXLNMV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds5

About 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine

2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine (PubChem CID 104675953) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
PubChem CID104675953
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCOC1C(N)CC1Oc1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-4-17-15-13(16)9-14(15)18-12-7-5-6-11(8-12)10(2)3/h5-8,10,13-15H,4,9,16H2,1-3H3
InChIKeyKTVYOONJXXLNMV-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
2-ethoxy-3-(3-ethoxyphenoxy)cyclobutan-1-amine
CID 113440032
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
3-(3-ethoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943638
4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
CID 43097367
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
3-(3-bromophenoxy)-2-(2-methoxyethoxy)cyclobutan-1-amine
CID 114032265
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
3-(3-propan-2-ylphenoxy)cyclobutan-1-one
CID 66366168
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
2-(3-propan-2-ylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43103826
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine (CID 104675953) is 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine is CCOC1C(N)CC1Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine?
The InChIKey is KTVYOONJXXLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-17-15-13(16)9-14(15)18-12-7-5-6-11(8-12)10(2)3/h5-8,10,13-15H,4,9,16H2,1-3H3.
What are the key properties of 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine?
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).