2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol

C18H20FNO2 — CID 75382537

IUPAC2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3
InChIKeyNXBGJBMPCOUXPW-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.14
Rot. Bonds5

About 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol

2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 75382537) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID75382537
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3
InChIKeyNXBGJBMPCOUXPW-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol (CID 75382537) is 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCc3ccc(F)cc32)cc1.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is NXBGJBMPCOUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3.
What are the key properties of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 301.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 75382537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).