2-amino-1-naphthalen-2-ylethanol

C12H13NO — CID 2735379

IUPAC2-amino-1-naphthalen-2-ylethanol
SMILESNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C12H13NO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8,13H2
InChIKeyPGJHAXAIVJIVSM-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.83
Rot. Bonds2

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

2-amino-1-naphthalen-2-ylethanol (PubChem CID 2735379) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-amino-1-naphthalen-2-ylethanol
PubChem CID2735379
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-amino-1-naphthalen-2-ylethanol
SMILESNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C12H13NO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8,13H2
InChIKeyPGJHAXAIVJIVSM-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-2-ylethanol?
The IUPAC name of 2-amino-1-naphthalen-2-ylethanol (CID 2735379) is 2-amino-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-amino-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-amino-1-naphthalen-2-ylethanol is NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-1-naphthalen-2-ylethanol?
The InChIKey is PGJHAXAIVJIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8,13H2.
What are the key properties of 2-amino-1-naphthalen-2-ylethanol?
2-amino-1-naphthalen-2-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-2-ylethanol is sourced from PubChem (CID 2735379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).