(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine

C12H14FNO — CID 153397663

IUPAC(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine
SMILESC=CN/C(C)=C/c1cccc(OC)c1F
InChIInChI=1S/C12H14FNO/c1-4-14-9(2)8-10-6-5-7-11(15-3)12(10)13/h4-8,14H,1H2,2-3H3/b9-8+
InChIKeyVHYLXGVSOOYFFF-CMDGGOBGSA-N
MW207.25 g/mol
LogP2.93
Rot. Bonds4

About (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine

(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine (PubChem CID 153397663) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine
PubChem CID153397663
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine
SMILESC=CN/C(C)=C/c1cccc(OC)c1F
InChIInChI=1S/C12H14FNO/c1-4-14-9(2)8-10-6-5-7-11(15-3)12(10)13/h4-8,14H,1H2,2-3H3/b9-8+
InChIKeyVHYLXGVSOOYFFF-CMDGGOBGSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine?
The IUPAC name of (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine (CID 153397663) is (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine.
What is the SMILES notation for (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine?
The canonical SMILES for (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine is C=CN/C(C)=C/c1cccc(OC)c1F.
What is the InChIKey of (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine?
The InChIKey is VHYLXGVSOOYFFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14FNO/c1-4-14-9(2)8-10-6-5-7-11(15-3)12(10)13/h4-8,14H,1H2,2-3H3/b9-8+.
What are the key properties of (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine?
(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine has a molecular weight of 207.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine is sourced from PubChem (CID 153397663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).