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

C11H15ClFNO2 — CID 66983045

IUPAC(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
SMILESCOc1cccc(OC/C=C(/F)CN)c1.Cl
InChIInChI=1S/C11H14FNO2.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5+;
InChIKeyOYSPTBIHFKWNHD-SZKNIZGXSA-N
MW247.70 g/mol
LogP2.31
Rot. Bonds5

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

(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride (PubChem CID 66983045) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
PubChem CID66983045
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
SMILESCOc1cccc(OC/C=C(/F)CN)c1.Cl
InChIInChI=1S/C11H14FNO2.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5+;
InChIKeyOYSPTBIHFKWNHD-SZKNIZGXSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 66982486
(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
CID 66983268
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
(E)-4-(3-methoxyphenoxy)-2-methylbut-2-enoyl chloride
CID 125476170
1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene
CID 70549049
(3-methoxyphenoxy)methanol
CID 10442564
1-[(2E)-7,7-dichloro-3-methylhepta-2,6-dienoxy]-3-methoxybenzene
CID 21489597
[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
CID 7219890
1-(chloromethoxy)-3-methoxybenzene
CID 59086252

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride (CID 66983045) is (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride is COc1cccc(OC/C=C(/F)CN)c1.Cl.
What is the InChIKey of (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride?
The InChIKey is OYSPTBIHFKWNHD-SZKNIZGXSA-N. The full InChI is InChI=1S/C11H14FNO2.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5+;.
What are the key properties of (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride?
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride has a molecular weight of 247.70 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).