[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol

C15H23NO2 — CID 116944258

IUPAC[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1c(C)cc(C(N)C2(CO)CCC2)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-12(8-11(2)13(10)18-3)14(16)15(9-17)5-4-6-15/h7-8,14,17H,4-6,9,16H2,1-3H3
InChIKeyZAZDKAVKQBKCMW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds4

About [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol

[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116944258) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
PubChem CID116944258
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1c(C)cc(C(N)C2(CO)CCC2)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-12(8-11(2)13(10)18-3)14(16)15(9-17)5-4-6-15/h7-8,14,17H,4-6,9,16H2,1-3H3
InChIKeyZAZDKAVKQBKCMW-UHFFFAOYSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116943909
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol (CID 116944258) is [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol is COc1c(C)cc(C(N)C2(CO)CCC2)cc1C.
What is the InChIKey of [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is ZAZDKAVKQBKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-12(8-11(2)13(10)18-3)14(16)15(9-17)5-4-6-15/h7-8,14,17H,4-6,9,16H2,1-3H3.
What are the key properties of [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol?
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).