[4-(2-methylphenyl)oxolan-2-yl]methanamine

C12H17NO — CID 155895844

IUPAC[4-(2-methylphenyl)oxolan-2-yl]methanamine
SMILESCc1ccccc1C1COC(CN)C1
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8,13H2,1H3
InChIKeyJOWIIZZYNJVGPT-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.83
Rot. Bonds2

About [4-(2-methylphenyl)oxolan-2-yl]methanamine

[4-(2-methylphenyl)oxolan-2-yl]methanamine (PubChem CID 155895844) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-(2-methylphenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylphenyl)oxolan-2-yl]methanamine
PubChem CID155895844
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-(2-methylphenyl)oxolan-2-yl]methanamine
SMILESCc1ccccc1C1COC(CN)C1
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8,13H2,1H3
InChIKeyJOWIIZZYNJVGPT-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)oxolan-2-yl]methanamine?
The IUPAC name of [4-(2-methylphenyl)oxolan-2-yl]methanamine (CID 155895844) is [4-(2-methylphenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [4-(2-methylphenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [4-(2-methylphenyl)oxolan-2-yl]methanamine is Cc1ccccc1C1COC(CN)C1.
What is the InChIKey of [4-(2-methylphenyl)oxolan-2-yl]methanamine?
The InChIKey is JOWIIZZYNJVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8,13H2,1H3.
What are the key properties of [4-(2-methylphenyl)oxolan-2-yl]methanamine?
[4-(2-methylphenyl)oxolan-2-yl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 155895844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).