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

C16H25NO — CID 117371901

IUPAC[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1c(C(C)C)ccc(C)c1C1(CN)CCC1
InChIInChI=1S/C16H25NO/c1-11(2)13-7-6-12(3)14(15(13)18-4)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3
InChIKeyUEIYGRJWLZPJCP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds4

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

[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117371901) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117371901
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1c(C(C)C)ccc(C)c1C1(CN)CCC1
InChIInChI=1S/C16H25NO/c1-11(2)13-7-6-12(3)14(15(13)18-4)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3
InChIKeyUEIYGRJWLZPJCP-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]cyclobutyl]methanamine
CID 117426610
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117371901) is [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine is COc1c(C(C)C)ccc(C)c1C1(CN)CCC1.
What is the InChIKey of [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is UEIYGRJWLZPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)13-7-6-12(3)14(15(13)18-4)16(10-17)8-5-9-16/h6-7,11H,5,8-10,17H2,1-4H3.
What are the key properties of [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117371901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).