4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline

C17H19FN2 — CID 103495865

IUPAC4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
SMILESNc1ccc(CCCN2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H19FN2/c18-15-6-5-14-9-11-20(17(14)12-15)10-1-2-13-3-7-16(19)8-4-13/h3-8,12H,1-2,9-11,19H2
InChIKeyHYQQPGTVYQIXHK-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.40
Rot. Bonds4

About 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline

4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline (PubChem CID 103495865) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
PubChem CID103495865
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
SMILESNc1ccc(CCCN2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H19FN2/c18-15-6-5-14-9-11-20(17(14)12-15)10-1-2-13-3-7-16(19)8-4-13/h3-8,12H,1-2,9-11,19H2
InChIKeyHYQQPGTVYQIXHK-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 107274633
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The IUPAC name of 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline (CID 103495865) is 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The canonical SMILES for 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline is Nc1ccc(CCCN2CCc3ccc(F)cc32)cc1.
What is the InChIKey of 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
The InChIKey is HYQQPGTVYQIXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-6-5-14-9-11-20(17(14)12-15)10-1-2-13-3-7-16(19)8-4-13/h3-8,12H,1-2,9-11,19H2.
What are the key properties of 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline?
4-[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 4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline is sourced from PubChem (CID 103495865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).