2-amino-1-naphthalen-1-ylethanol

C12H13NO — CID 16768136

IUPAC2-amino-1-naphthalen-1-ylethanol
SMILESNCC(O)c1cccc2ccccc12
InChIInChI=1S/C12H13NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2
InChIKeyFWBOVFYHCSVEKC-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.83
Rot. Bonds2

About 2-amino-1-naphthalen-1-ylethanol

2-amino-1-naphthalen-1-ylethanol (PubChem CID 16768136) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-amino-1-naphthalen-1-ylethanol
PubChem CID16768136
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-amino-1-naphthalen-1-ylethanol
SMILESNCC(O)c1cccc2ccccc12
InChIInChI=1S/C12H13NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2
InChIKeyFWBOVFYHCSVEKC-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-naphthalen-1-ylethanol?
The IUPAC name of 2-amino-1-naphthalen-1-ylethanol (CID 16768136) is 2-amino-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-amino-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-amino-1-naphthalen-1-ylethanol is NCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-amino-1-naphthalen-1-ylethanol?
The InChIKey is FWBOVFYHCSVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2.
What are the key properties of 2-amino-1-naphthalen-1-ylethanol?
2-amino-1-naphthalen-1-ylethanol has a molecular weight of 187.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-naphthalen-1-ylethanol is sourced from PubChem (CID 16768136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).