[4-(oxolan-3-yl)phenyl]methanamine

C11H15NO — CID 83827764

IUPAC[4-(oxolan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2CCOC2)cc1
InChIInChI=1S/C11H15NO/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-4,11H,5-8,12H2
InChIKeyUFGXWIQRHHICGF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.65
Rot. Bonds2

About [4-(oxolan-3-yl)phenyl]methanamine

[4-(oxolan-3-yl)phenyl]methanamine (PubChem CID 83827764) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [4-(oxolan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-3-yl)phenyl]methanamine
PubChem CID83827764
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[4-(oxolan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2CCOC2)cc1
InChIInChI=1S/C11H15NO/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-4,11H,5-8,12H2
InChIKeyUFGXWIQRHHICGF-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(oxolan-3-yl)phenyl]butan-1-amine
CID 117313253
2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine
CID 117313363
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
(3R)-3-phenyloxolane
CID 92859476
(4-cyclohexylphenyl)methanamine
CID 22246867
3-(4-propylphenyl)oxane
CID 21248099
ethane;4-(4-ethylphenyl)oxane
CID 145044637
2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine
CID 105487369
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82732204
[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
3-(3-bromophenyl)oxolane
CID 66521315

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-3-yl)phenyl]methanamine?
The IUPAC name of [4-(oxolan-3-yl)phenyl]methanamine (CID 83827764) is [4-(oxolan-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(oxolan-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(oxolan-3-yl)phenyl]methanamine is NCc1ccc(C2CCOC2)cc1.
What is the InChIKey of [4-(oxolan-3-yl)phenyl]methanamine?
The InChIKey is UFGXWIQRHHICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-4,11H,5-8,12H2.
What are the key properties of [4-(oxolan-3-yl)phenyl]methanamine?
[4-(oxolan-3-yl)phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-yl)phenyl]methanamine is sourced from PubChem (CID 83827764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).