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

C14H21NO2 — CID 65051705

IUPAC[4-(2-phenylethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCCc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO2/c15-12-14(7-10-16-11-8-14)17-9-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKeyOKEWKIAURCAYPZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds5

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

[4-(2-phenylethoxy)oxan-4-yl]methanamine (PubChem CID 65051705) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(2-phenylethoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-phenylethoxy)oxan-4-yl]methanamine
PubChem CID65051705
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[4-(2-phenylethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCCc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO2/c15-12-14(7-10-16-11-8-14)17-9-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKeyOKEWKIAURCAYPZ-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-phenylethoxy)oxan-4-yl]methanamine (CID 65051705) is [4-(2-phenylethoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-phenylethoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-phenylethoxy)oxan-4-yl]methanamine is NCC1(OCCc2ccccc2)CCOCC1.
What is the InChIKey of [4-(2-phenylethoxy)oxan-4-yl]methanamine?
The InChIKey is OKEWKIAURCAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-12-14(7-10-16-11-8-14)17-9-6-13-4-2-1-3-5-13/h1-5H,6-12,15H2.
What are the key properties of [4-(2-phenylethoxy)oxan-4-yl]methanamine?
[4-(2-phenylethoxy)oxan-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 65051705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).