(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine

C15H19FN2 — CID 143672460

IUPAC(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine
SMILESC=CN/C(CN1CCCc2ccccc21)=C(\C)F
InChIInChI=1S/C15H19FN2/c1-3-17-14(12(2)16)11-18-10-6-8-13-7-4-5-9-15(13)18/h3-5,7,9,17H,1,6,8,10-11H2,2H3/b14-12+
InChIKeyXQDVYFVYDKMUBV-WYMLVPIESA-N
MW246.33 g/mol
LogP3.37
Rot. Bonds4

About (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine

(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine (PubChem CID 143672460) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine
PubChem CID143672460
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine
SMILESC=CN/C(CN1CCCc2ccccc21)=C(\C)F
InChIInChI=1S/C15H19FN2/c1-3-17-14(12(2)16)11-18-10-6-8-13-7-4-5-9-15(13)18/h3-5,7,9,17H,1,6,8,10-11H2,2H3/b14-12+
InChIKeyXQDVYFVYDKMUBV-WYMLVPIESA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745635
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(methylamino)propan-1-ol
CID 64796310
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine?
The IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine (CID 143672460) is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine is C=CN/C(CN1CCCc2ccccc21)=C(\C)F.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine?
The InChIKey is XQDVYFVYDKMUBV-WYMLVPIESA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-17-14(12(2)16)11-18-10-6-8-13-7-4-5-9-15(13)18/h3-5,7,9,17H,1,6,8,10-11H2,2H3/b14-12+.
What are the key properties of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine?
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine has a molecular weight of 246.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine is sourced from PubChem (CID 143672460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).