[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine

C16H25NO2 — CID 117413444

IUPAC[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C(C)C)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C16H25NO2/c1-11(2)12-6-7-13(18-3)15(19-4)14(12)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3
InChIKeyVOUSDSLBMILMHY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds5

About [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117413444) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117413444
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C(C)C)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C16H25NO2/c1-11(2)12-6-7-13(18-3)15(19-4)14(12)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3
InChIKeyVOUSDSLBMILMHY-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[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-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117413444) is [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine is COc1ccc(C(C)C)c(C2(CN)CCC2)c1OC.
What is the InChIKey of [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is VOUSDSLBMILMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)12-6-7-13(18-3)15(19-4)14(12)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3.
What are the key properties of [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117413444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).