1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine

C18H21FN2 — CID 103497278

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCc2ccc(F)cc21
InChIInChI=1S/C18H21FN2/c19-16-8-7-15-10-11-21(18(15)12-16)13-17(20)9-6-14-4-2-1-3-5-14/h1-5,7-8,12,17H,6,9-11,13,20H2
InChIKeySGXUOCBUONRDAQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.15
Rot. Bonds5

About 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine

1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine (PubChem CID 103497278) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine
PubChem CID103497278
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCc2ccc(F)cc21
InChIInChI=1S/C18H21FN2/c19-16-8-7-15-10-11-21(18(15)12-16)13-17(20)9-6-14-4-2-1-3-5-14/h1-5,7-8,12,17H,6,9-11,13,20H2
InChIKeySGXUOCBUONRDAQ-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine (CID 103497278) is 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)CN1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine?
The InChIKey is SGXUOCBUONRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-16-8-7-15-10-11-21(18(15)12-16)13-17(20)9-6-14-4-2-1-3-5-14/h1-5,7-8,12,17H,6,9-11,13,20H2.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine?
1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine has a molecular weight of 284.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 103497278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).