2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline

C17H19FN2 — CID 107274633

IUPAC2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
SMILESNc1ccccc1CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c18-15-8-7-14-9-11-20(17(14)12-15)10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,12H,3,5,9-11,19H2
InChIKeyOSIPGOVRELZYFC-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline

2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline (PubChem CID 107274633) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
PubChem CID107274633
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
SMILESNc1ccccc1CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c18-15-8-7-14-9-11-20(17(14)12-15)10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,12H,3,5,9-11,19H2
InChIKeyOSIPGOVRELZYFC-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine
CID 103497278
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The IUPAC name of 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline (CID 107274633) is 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The canonical SMILES for 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline is Nc1ccccc1CCCN1CCc2ccc(F)cc21.
What is the InChIKey of 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The InChIKey is OSIPGOVRELZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-8-7-14-9-11-20(17(14)12-15)10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,12H,3,5,9-11,19H2.
What are the key properties of 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline is sourced from PubChem (CID 107274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).