[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine

C16H25NO2 — CID 117413443

IUPAC[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)c(OC)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)12-8-15(19-4)13(9-14(12)18-3)16(10-17)6-5-7-16/h8-9,11H,5-7,10,17H2,1-4H3
InChIKeyLLVFREWBSRVREC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds5

About [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117413443) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117413443
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)c(OC)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)12-8-15(19-4)13(9-14(12)18-3)16(10-17)6-5-7-16/h8-9,11H,5-7,10,17H2,1-4H3
InChIKeyLLVFREWBSRVREC-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-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117413443) is [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)c(OC)cc1C(C)C.
What is the InChIKey of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is LLVFREWBSRVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)12-8-15(19-4)13(9-14(12)18-3)16(10-17)6-5-7-16/h8-9,11H,5-7,10,17H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(2,5-dimethoxy-4-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-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117413443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).