(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine

C14H19NO2 — CID 117338379

IUPAC(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H19NO2/c15-9-3-5-12-4-1-2-6-14(12)17-13-7-10-16-11-8-13/h1-6,13H,7-11,15H2/b5-3+
InChIKeyDVPAJXCTGJRATG-HWKANZROSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds4

About (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine

(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine (PubChem CID 117338379) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
PubChem CID117338379
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H19NO2/c15-9-3-5-12-4-1-2-6-14(12)17-13-7-10-16-11-8-13/h1-6,13H,7-11,15H2/b5-3+
InChIKeyDVPAJXCTGJRATG-HWKANZROSA-N
XLogP2.22
TPSA44.48 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine (CID 117338379) is (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine is NC/C=C/c1ccccc1OC1CCOCC1.
What is the InChIKey of (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine?
The InChIKey is DVPAJXCTGJRATG-HWKANZROSA-N. The full InChI is InChI=1S/C14H19NO2/c15-9-3-5-12-4-1-2-6-14(12)17-13-7-10-16-11-8-13/h1-6,13H,7-11,15H2/b5-3+.
What are the key properties of (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine?
(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).