1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine

C11H13FN2 — CID 103503764

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2/c1-2-11(13)14-6-5-8-3-4-9(12)7-10(8)14/h3-4,7,13H,2,5-6H2,1H3/b13-11+
InChIKeyLPGUNGWZGUHVLL-ACCUITESSA-N
MW192.24 g/mol
LogP2.58
Rot. Bonds1

About 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine

1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine (PubChem CID 103503764) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine
PubChem CID103503764
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2/c1-2-11(13)14-6-5-8-3-4-9(12)7-10(8)14/h3-4,7,13H,2,5-6H2,1H3/b13-11+
InChIKeyLPGUNGWZGUHVLL-ACCUITESSA-N
XLogP2.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496995
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103504865
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine (CID 103503764) is 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine?
The InChIKey is LPGUNGWZGUHVLL-ACCUITESSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-11(13)14-6-5-8-3-4-9(12)7-10(8)14/h3-4,7,13H,2,5-6H2,1H3/b13-11+.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine?
1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine has a molecular weight of 192.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine is sourced from PubChem (CID 103503764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).