3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol

C12H17NO2 — CID 115025196

IUPAC3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol
SMILESCOc1ccccc1C1(N)CC(C)(O)C1
InChIInChI=1S/C12H17NO2/c1-11(14)7-12(13,8-11)9-5-3-4-6-10(9)15-2/h3-6,14H,7-8,13H2,1-2H3
InChIKeyJEPBZVUFSKNWGO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds2

About 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol

3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol (PubChem CID 115025196) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol
PubChem CID115025196
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol
SMILESCOc1ccccc1C1(N)CC(C)(O)C1
InChIInChI=1S/C12H17NO2/c1-11(14)7-12(13,8-11)9-5-3-4-6-10(9)15-2/h3-6,14H,7-8,13H2,1-2H3
InChIKeyJEPBZVUFSKNWGO-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
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1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol (CID 115025196) is 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol is COc1ccccc1C1(N)CC(C)(O)C1.
What is the InChIKey of 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol?
The InChIKey is JEPBZVUFSKNWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-11(14)7-12(13,8-11)9-5-3-4-6-10(9)15-2/h3-6,14H,7-8,13H2,1-2H3.
What are the key properties of 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol?
3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methoxyphenyl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 115025196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).