oxan-4-yl(phenyl)methanamine

C12H17NO — CID 54593643

IUPACoxan-4-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCOCC1
InChIInChI=1S/C12H17NO/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12H,6-9,13H2
InChIKeyNZONHTNKOWGTPR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds2

About oxan-4-yl(phenyl)methanamine

oxan-4-yl(phenyl)methanamine (PubChem CID 54593643) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is oxan-4-yl(phenyl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl(phenyl)methanamine
PubChem CID54593643
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameoxan-4-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCOCC1
InChIInChI=1S/C12H17NO/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12H,6-9,13H2
InChIKeyNZONHTNKOWGTPR-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(phenyl)methanamine?
The IUPAC name of oxan-4-yl(phenyl)methanamine (CID 54593643) is oxan-4-yl(phenyl)methanamine.
What is the SMILES notation for oxan-4-yl(phenyl)methanamine?
The canonical SMILES for oxan-4-yl(phenyl)methanamine is NC(c1ccccc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(phenyl)methanamine?
The InChIKey is NZONHTNKOWGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12H,6-9,13H2.
What are the key properties of oxan-4-yl(phenyl)methanamine?
oxan-4-yl(phenyl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(phenyl)methanamine is sourced from PubChem (CID 54593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).