(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

C10H13ClFNO — CID 13320111

IUPAC(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESCOc1cccc(/C(=C\F)CN)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-10-4-2-3-8(5-10)9(6-11)7-12;/h2-6H,7,12H2,1H3;1H/b9-6-;
InChIKeyVLEYRFURYRGCSY-BORNJIKYSA-N
MW217.67 g/mol
LogP2.39
Rot. Bonds3

About (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 13320111) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
PubChem CID13320111
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESCOc1cccc(/C(=C\F)CN)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-10-4-2-3-8(5-10)9(6-11)7-12;/h2-6H,7,12H2,1H3;1H/b9-6-;
InChIKeyVLEYRFURYRGCSY-BORNJIKYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (CID 13320111) is (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is COc1cccc(/C(=C\F)CN)c1.Cl.
What is the InChIKey of (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is VLEYRFURYRGCSY-BORNJIKYSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c1-13-10-4-2-3-8(5-10)9(6-11)7-12;/h2-6H,7,12H2,1H3;1H/b9-6-;.
What are the key properties of (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 13320111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).