1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol

C14H21NO2 — CID 79128526

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-13(16,14(10-15)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,16H,5,8-10,15H2,1-2H3
InChIKeyJXLKIXVJUVDLHA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol

1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol (PubChem CID 79128526) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
PubChem CID79128526
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-13(16,14(10-15)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,16H,5,8-10,15H2,1-2H3
InChIKeyJXLKIXVJUVDLHA-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol (CID 79128526) is 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(C)(O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol?
The InChIKey is JXLKIXVJUVDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(16,14(10-15)8-5-9-14)11-6-3-4-7-12(11)17-2/h3-4,6-7,16H,5,8-10,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol?
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 79128526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).