2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

C16H15ClF2N2 — CID 103494431

IUPAC2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1cc(F)cc(Cl)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H15ClF2N2/c17-12-5-11(6-14(19)7-12)16(9-20)21-4-3-10-1-2-13(18)8-15(10)21/h1-2,5-8,16H,3-4,9,20H2
InChIKeyKJVFJVDEJIXYEE-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.68
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 103494431) has the molecular formula C16H15ClF2N2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
PubChem CID103494431
Molecular FormulaC16H15ClF2N2
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1cc(F)cc(Cl)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H15ClF2N2/c17-12-5-11(6-14(19)7-12)16(9-20)21-4-3-10-1-2-13(18)8-15(10)21/h1-2,5-8,16H,3-4,9,20H2
InChIKeyKJVFJVDEJIXYEE-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (CID 103494431) is 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is NCC(c1cc(F)cc(Cl)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is KJVFJVDEJIXYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2/c17-12-5-11(6-14(19)7-12)16(9-20)21-4-3-10-1-2-13(18)8-15(10)21/h1-2,5-8,16H,3-4,9,20H2.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 308.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 103494431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).