3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol

C13H19NO — CID 117293952

IUPAC3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol
SMILESCCc1cc(O)cc(C2(CN)CCC2)c1
InChIInChI=1S/C13H19NO/c1-2-10-6-11(8-12(15)7-10)13(9-14)4-3-5-13/h6-8,15H,2-5,9,14H2,1H3
InChIKeyAHNMJKVPBDVIJU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds3

About 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol

3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol (PubChem CID 117293952) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol
PubChem CID117293952
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol
SMILESCCc1cc(O)cc(C2(CN)CCC2)c1
InChIInChI=1S/C13H19NO/c1-2-10-6-11(8-12(15)7-10)13(9-14)4-3-5-13/h6-8,15H,2-5,9,14H2,1H3
InChIKeyAHNMJKVPBDVIJU-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol (CID 117293952) is 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol is CCc1cc(O)cc(C2(CN)CCC2)c1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol?
The InChIKey is AHNMJKVPBDVIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-10-6-11(8-12(15)7-10)13(9-14)4-3-5-13/h6-8,15H,2-5,9,14H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol?
3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]-5-ethylphenol is sourced from PubChem (CID 117293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).