[4-(2-phenylethyl)oxan-4-yl]methanamine

C14H21NO — CID 83822239

IUPAC[4-(2-phenylethyl)oxan-4-yl]methanamine
SMILESNCC1(CCc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO/c15-12-14(8-10-16-11-9-14)7-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKeyGDFQRTFMLITTKM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds4

About [4-(2-phenylethyl)oxan-4-yl]methanamine

[4-(2-phenylethyl)oxan-4-yl]methanamine (PubChem CID 83822239) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(2-phenylethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-phenylethyl)oxan-4-yl]methanamine
PubChem CID83822239
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(2-phenylethyl)oxan-4-yl]methanamine
SMILESNCC1(CCc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO/c15-12-14(8-10-16-11-9-14)7-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKeyGDFQRTFMLITTKM-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-phenylethyl)oxan-4-yl]methanamine (CID 83822239) is [4-(2-phenylethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-phenylethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-phenylethyl)oxan-4-yl]methanamine is NCC1(CCc2ccccc2)CCOCC1.
What is the InChIKey of [4-(2-phenylethyl)oxan-4-yl]methanamine?
The InChIKey is GDFQRTFMLITTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-12-14(8-10-16-11-9-14)7-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2.
What are the key properties of [4-(2-phenylethyl)oxan-4-yl]methanamine?
[4-(2-phenylethyl)oxan-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 83822239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).