2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine

C16H25NO — CID 107668404

IUPAC2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine
SMILESCCC(C)c1ccc(OC2(CCN)CCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)14-5-7-15(8-6-14)18-16(11-12-17)9-4-10-16/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyHKSGKJXKBLJCNA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds6

About 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine

2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine (PubChem CID 107668404) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine
PubChem CID107668404
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine
SMILESCCC(C)c1ccc(OC2(CCN)CCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)14-5-7-15(8-6-14)18-16(11-12-17)9-4-10-16/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyHKSGKJXKBLJCNA-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine
CID 103273003
[4-(1-propylcyclopentyl)oxyphenyl] 2-iodobutanoate
CID 137452771
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273827
2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
CID 103273552
3-(4-butan-2-ylphenoxy)spiro[3.4]octan-1-amine
CID 107669428
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963591
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274070
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
4-butan-2-ylphenol;(1-ethylcyclopentyl) 2-(4-butan-2-ylphenoxy)acetate
CID 144690786
3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 107664050

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine (CID 107668404) is 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine is CCC(C)c1ccc(OC2(CCN)CCC2)cc1.
What is the InChIKey of 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine?
The InChIKey is HKSGKJXKBLJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(2)14-5-7-15(8-6-14)18-16(11-12-17)9-4-10-16/h5-8,13H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine?
2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 107668404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).