2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol

C18H16FNO — CID 67523990

IUPAC2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESNC(c1ccc(F)cc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2
InChIKeyHYXOOKCCWIVILZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol

2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol (PubChem CID 67523990) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
PubChem CID67523990
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESNC(c1ccc(F)cc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2
InChIKeyHYXOOKCCWIVILZ-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol (CID 67523990) is 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol is NC(c1ccc(F)cc1)C(O)c1cccc2ccccc12.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
The InChIKey is HYXOOKCCWIVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-14-10-8-13(9-11-14)17(20)18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18,21H,20H2.
What are the key properties of 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol?
2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol has a molecular weight of 281.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 67523990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).