3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine

C13H19FN2 — CID 117201218

IUPAC3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCCN1c2ccc(F)cc2CC1CCCN
InChIInChI=1S/C13H19FN2/c1-2-16-12(4-3-7-15)9-10-8-11(14)5-6-13(10)16/h5-6,8,12H,2-4,7,9,15H2,1H3
InChIKeyJSQCIFRBINVKLO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds4

About 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine

3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine (PubChem CID 117201218) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
PubChem CID117201218
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCCN1c2ccc(F)cc2CC1CCCN
InChIInChI=1S/C13H19FN2/c1-2-16-12(4-3-7-15)9-10-8-11(14)5-6-13(10)16/h5-6,8,12H,2-4,7,9,15H2,1H3
InChIKeyJSQCIFRBINVKLO-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
CID 117200697
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201154
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
1,2-diethyl-2,3-dihydroindole-5-carboxamide
CID 151975903
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201212
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine (CID 117201218) is 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine is CCN1c2ccc(F)cc2CC1CCCN.
What is the InChIKey of 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine?
The InChIKey is JSQCIFRBINVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-16-12(4-3-7-15)9-10-8-11(14)5-6-13(10)16/h5-6,8,12H,2-4,7,9,15H2,1H3.
What are the key properties of 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine?
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine is sourced from PubChem (CID 117201218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).