[2-(1-phenylethyl)oxan-3-yl]methanamine

C14H21NO — CID 79368315

IUPAC[2-(1-phenylethyl)oxan-3-yl]methanamine
SMILESCC(c1ccccc1)C1OCCCC1CN
InChIInChI=1S/C14H21NO/c1-11(12-6-3-2-4-7-12)14-13(10-15)8-5-9-16-14/h2-4,6-7,11,13-14H,5,8-10,15H2,1H3
InChIKeyOJCQSJYLKZHVJV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds3

About [2-(1-phenylethyl)oxan-3-yl]methanamine

[2-(1-phenylethyl)oxan-3-yl]methanamine (PubChem CID 79368315) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [2-(1-phenylethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1-phenylethyl)oxan-3-yl]methanamine
PubChem CID79368315
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[2-(1-phenylethyl)oxan-3-yl]methanamine
SMILESCC(c1ccccc1)C1OCCCC1CN
InChIInChI=1S/C14H21NO/c1-11(12-6-3-2-4-7-12)14-13(10-15)8-5-9-16-14/h2-4,6-7,11,13-14H,5,8-10,15H2,1H3
InChIKeyOJCQSJYLKZHVJV-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylethyl)oxan-3-yl]methanamine?
The IUPAC name of [2-(1-phenylethyl)oxan-3-yl]methanamine (CID 79368315) is [2-(1-phenylethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(1-phenylethyl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(1-phenylethyl)oxan-3-yl]methanamine is CC(c1ccccc1)C1OCCCC1CN.
What is the InChIKey of [2-(1-phenylethyl)oxan-3-yl]methanamine?
The InChIKey is OJCQSJYLKZHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12-6-3-2-4-7-12)14-13(10-15)8-5-9-16-14/h2-4,6-7,11,13-14H,5,8-10,15H2,1H3.
What are the key properties of [2-(1-phenylethyl)oxan-3-yl]methanamine?
[2-(1-phenylethyl)oxan-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 79368315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).