1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine

C17H25NO — CID 117402785

IUPAC1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CCCCC2)cc1C1(N)CCC1
InChIInChI=1S/C17H25NO/c1-19-16-9-8-14(13-6-3-2-4-7-13)12-15(16)17(18)10-5-11-17/h8-9,12-13H,2-7,10-11,18H2,1H3
InChIKeyHYEXUAPKVQCPKY-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.08
Rot. Bonds3

About 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine

1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117402785) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
PubChem CID117402785
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CCCCC2)cc1C1(N)CCC1
InChIInChI=1S/C17H25NO/c1-19-16-9-8-14(13-6-3-2-4-7-13)12-15(16)17(18)10-5-11-17/h8-9,12-13H,2-7,10-11,18H2,1H3
InChIKeyHYEXUAPKVQCPKY-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117436622
1-(5-cyclohexyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117464165
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
4-cyclopentyl-2-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117459837
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
CID 117371916
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine (CID 117402785) is 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine is COc1ccc(C2CCCCC2)cc1C1(N)CCC1.
What is the InChIKey of 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is HYEXUAPKVQCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-16-9-8-14(13-6-3-2-4-7-13)12-15(16)17(18)10-5-11-17/h8-9,12-13H,2-7,10-11,18H2,1H3.
What are the key properties of 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine?
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117402785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).