(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine

C12H15FN2 — CID 103495908

IUPAC(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
SMILESNC/C=C/CN1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h1-4,9H,5-8,14H2/b2-1+
InChIKeyQBGLIQXZRVIAFO-OWOJBTEDSA-N
MW206.26 g/mol
LogP1.70
Rot. Bonds3

About (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine

(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine (PubChem CID 103495908) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
PubChem CID103495908
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
SMILESNC/C=C/CN1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h1-4,9H,5-8,14H2/b2-1+
InChIKeyQBGLIQXZRVIAFO-OWOJBTEDSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
[6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-pyridinyl]methanamine
CID 103503145
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
CID 103502277
2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 107274633
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
CID 175249463
1-cyclopentyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494909

Frequently Asked Questions

What is the IUPAC name of (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine (CID 103495908) is (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine is NC/C=C/CN1CCc2ccc(F)cc21.
What is the InChIKey of (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine?
The InChIKey is QBGLIQXZRVIAFO-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H15FN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h1-4,9H,5-8,14H2/b2-1+.
What are the key properties of (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine?
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine has a molecular weight of 206.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine is sourced from PubChem (CID 103495908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).