[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine

C17H27NO — CID 117408717

IUPAC[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCCc1ccc(C(C)C)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C17H27NO/c1-5-13-7-8-14(12(2)3)15(16(13)19-4)17(11-18)9-6-10-17/h7-8,12H,5-6,9-11,18H2,1-4H3
InChIKeyZXYBNCFYJQCUDA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117408717) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117408717
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCCc1ccc(C(C)C)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C17H27NO/c1-5-13-7-8-14(12(2)3)15(16(13)19-4)17(11-18)9-6-10-17/h7-8,12H,5-6,9-11,18H2,1-4H3
InChIKeyZXYBNCFYJQCUDA-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
CID 117377360

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117408717) is [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine is CCc1ccc(C(C)C)c(C2(CN)CCC2)c1OC.
What is the InChIKey of [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is ZXYBNCFYJQCUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13-7-8-14(12(2)3)15(16(13)19-4)17(11-18)9-6-10-17/h7-8,12H,5-6,9-11,18H2,1-4H3.
What are the key properties of [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117408717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).