2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine

C16H25NO — CID 103273552

IUPAC2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
SMILESCc1ccc(C(C)C)c(OC2(CCN)CCC2)c1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)11-15(14)18-16(9-10-17)7-4-8-16/h5-6,11-12H,4,7-10,17H2,1-3H3
InChIKeyMKQKJEHIAUAOPI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds5

About 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine

2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine (PubChem CID 103273552) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
PubChem CID103273552
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
SMILESCc1ccc(C(C)C)c(OC2(CCN)CCC2)c1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)11-15(14)18-16(9-10-17)7-4-8-16/h5-6,11-12H,4,7-10,17H2,1-3H3
InChIKeyMKQKJEHIAUAOPI-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine
CID 114199448
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
CID 103273829
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
2-[1-(2-methylquinolin-8-yl)oxycyclobutyl]ethanamine
CID 103273862
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine
CID 107668404
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine (CID 103273552) is 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine is Cc1ccc(C(C)C)c(OC2(CCN)CCC2)c1.
What is the InChIKey of 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine?
The InChIKey is MKQKJEHIAUAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)11-15(14)18-16(9-10-17)7-4-8-16/h5-6,11-12H,4,7-10,17H2,1-3H3.
What are the key properties of 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine?
2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103273552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).