2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine

C12H17FN2 — CID 117198805

IUPAC2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
SMILESCCN1c2cccc(F)c2CC1CCN
InChIInChI=1S/C12H17FN2/c1-2-15-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9H,2,6-8,14H2,1H3
InChIKeySUIHYGFOIHFGTD-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds3

About 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine

2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine (PubChem CID 117198805) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
PubChem CID117198805
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
SMILESCCN1c2cccc(F)c2CC1CCN
InChIInChI=1S/C12H17FN2/c1-2-15-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9H,2,6-8,14H2,1H3
InChIKeySUIHYGFOIHFGTD-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
CID 117200697
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201218
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine?
The IUPAC name of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine (CID 117198805) is 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine is CCN1c2cccc(F)c2CC1CCN.
What is the InChIKey of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine?
The InChIKey is SUIHYGFOIHFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-15-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9H,2,6-8,14H2,1H3.
What are the key properties of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine?
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine is sourced from PubChem (CID 117198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).