(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine

C11H14FNO2 — CID 42624091

IUPAC(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
SMILESCOc1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C11H14FNO2/c1-14-10-2-4-11(5-3-10)15-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
InChIKeySZNNZQINCFBHDX-RMKNXTFCSA-N
MW211.24 g/mol
LogP1.89
Rot. Bonds5

About (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine

(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine (PubChem CID 42624091) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
PubChem CID42624091
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
SMILESCOc1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C11H14FNO2/c1-14-10-2-4-11(5-3-10)15-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+
InChIKeySZNNZQINCFBHDX-RMKNXTFCSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine (CID 42624091) is (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine is COc1ccc(OC/C(F)=C\CN)cc1.
What is the InChIKey of (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine?
The InChIKey is SZNNZQINCFBHDX-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-10-2-4-11(5-3-10)15-8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6+.
What are the key properties of (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine?
(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine has a molecular weight of 211.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine is sourced from PubChem (CID 42624091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).