1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol

C18H16FNO — CID 82682709

IUPAC1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol
SMILESNc1ccc(F)cc1C(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10,20H2
InChIKeyPMCMVWMGMVIHLZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol

1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol (PubChem CID 82682709) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol
PubChem CID82682709
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol
SMILESNc1ccc(F)cc1C(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H16FNO/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10,20H2
InChIKeyPMCMVWMGMVIHLZ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol (CID 82682709) is 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol is Nc1ccc(F)cc1C(O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The InChIKey is PMCMVWMGMVIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10,20H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol?
1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol has a molecular weight of 281.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 82682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).