1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine

C14H21FN2 — CID 117200112

IUPAC1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
SMILESCCN1CC(CC(C)NC)c2c(F)cccc21
InChIInChI=1S/C14H21FN2/c1-4-17-9-11(8-10(2)16-3)14-12(15)6-5-7-13(14)17/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyYEZJUDIVTUDZFU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.75
Rot. Bonds4

About 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine

1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine (PubChem CID 117200112) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
PubChem CID117200112
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
SMILESCCN1CC(CC(C)NC)c2c(F)cccc21
InChIInChI=1S/C14H21FN2/c1-4-17-9-11(8-10(2)16-3)14-12(15)6-5-7-13(14)17/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyYEZJUDIVTUDZFU-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine (CID 117200112) is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine is CCN1CC(CC(C)NC)c2c(F)cccc21.
What is the InChIKey of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is YEZJUDIVTUDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-17-9-11(8-10(2)16-3)14-12(15)6-5-7-13(14)17/h5-7,10-11,16H,4,8-9H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117200112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).