[1-(2-methoxyphenyl)cyclobutyl]methanamine

C12H17NO — CID 16641705

IUPAC[1-(2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccccc1C1(CN)CCC1
InChIInChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKeyQYBDUMVPPQVMRK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds3

About [1-(2-methoxyphenyl)cyclobutyl]methanamine

[1-(2-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 16641705) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclobutyl]methanamine
PubChem CID16641705
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[1-(2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccccc1C1(CN)CCC1
InChIInChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKeyQYBDUMVPPQVMRK-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)cyclobutyl]methanamine (CID 16641705) is [1-(2-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)cyclobutyl]methanamine is COc1ccccc1C1(CN)CCC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is QYBDUMVPPQVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)cyclobutyl]methanamine?
[1-(2-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 16641705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).