2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol

C13H18FNO — CID 83070068

IUPAC2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
SMILESCCNC1(CCO)CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO/c1-2-15-13(8-9-16)7-6-10-11(13)4-3-5-12(10)14/h3-5,15-16H,2,6-9H2,1H3
InChIKeyBIAUERIUNCULOE-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.96
Rot. Bonds4

About 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol

2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol (PubChem CID 83070068) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
PubChem CID83070068
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
SMILESCCNC1(CCO)CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO/c1-2-15-13(8-9-16)7-6-10-11(13)4-3-5-12(10)14/h3-5,15-16H,2,6-9H2,1H3
InChIKeyBIAUERIUNCULOE-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol?
The IUPAC name of 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol (CID 83070068) is 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol.
What is the SMILES notation for 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol?
The canonical SMILES for 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol is CCNC1(CCO)CCc2c(F)cccc21.
What is the InChIKey of 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol?
The InChIKey is BIAUERIUNCULOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-15-13(8-9-16)7-6-10-11(13)4-3-5-12(10)14/h3-5,15-16H,2,6-9H2,1H3.
What are the key properties of 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol?
2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol is sourced from PubChem (CID 83070068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).