[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone

C14H19NO2 — CID 116577414

IUPAC[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
SMILESNCCc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C14H19NO2/c15-8-5-11-3-1-2-4-13(11)14(16)12-6-9-17-10-7-12/h1-4,12H,5-10,15H2
InChIKeyXYVWBQXEEXZOEN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone

[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone (PubChem CID 116577414) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
PubChem CID116577414
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
SMILESNCCc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C14H19NO2/c15-8-5-11-3-1-2-4-13(11)14(16)12-6-9-17-10-7-12/h1-4,12H,5-10,15H2
InChIKeyXYVWBQXEEXZOEN-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone (CID 116577414) is [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone is NCCc1ccccc1C(=O)C1CCOCC1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone?
The InChIKey is XYVWBQXEEXZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-8-5-11-3-1-2-4-13(11)14(16)12-6-9-17-10-7-12/h1-4,12H,5-10,15H2.
What are the key properties of [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone?
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 116577414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).