[5-(4-methoxyphenyl)oxolan-2-yl]methanamine

C12H17NO2 — CID 11658526

IUPAC[5-(4-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(C2CCC(CN)O2)cc1
InChIInChI=1S/C12H17NO2/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-5,11-12H,6-8,13H2,1H3
InChIKeySUAFTJAVJHXARK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

About [5-(4-methoxyphenyl)oxolan-2-yl]methanamine

[5-(4-methoxyphenyl)oxolan-2-yl]methanamine (PubChem CID 11658526) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)oxolan-2-yl]methanamine
PubChem CID11658526
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[5-(4-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(C2CCC(CN)O2)cc1
InChIInChI=1S/C12H17NO2/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-5,11-12H,6-8,13H2,1H3
InChIKeySUAFTJAVJHXARK-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(4-methoxyphenyl)oxolan-2-yl]methanamine (CID 11658526) is [5-(4-methoxyphenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(4-methoxyphenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(4-methoxyphenyl)oxolan-2-yl]methanamine is COc1ccc(C2CCC(CN)O2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)oxolan-2-yl]methanamine?
The InChIKey is SUAFTJAVJHXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)oxolan-2-yl]methanamine?
[5-(4-methoxyphenyl)oxolan-2-yl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 11658526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).