1-(2-aminooxyethyl)naphthalen-2-ol

C12H13NO2 — CID 117291431

IUPAC1-(2-aminooxyethyl)naphthalen-2-ol
SMILESNOCCc1c(O)ccc2ccccc12
InChIInChI=1S/C12H13NO2/c13-15-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6,14H,7-8,13H2
InChIKeyKHNDMNLIZFILBH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-aminooxyethyl)naphthalen-2-ol

1-(2-aminooxyethyl)naphthalen-2-ol (PubChem CID 117291431) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-aminooxyethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-aminooxyethyl)naphthalen-2-ol
PubChem CID117291431
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2-aminooxyethyl)naphthalen-2-ol
SMILESNOCCc1c(O)ccc2ccccc12
InChIInChI=1S/C12H13NO2/c13-15-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6,14H,7-8,13H2
InChIKeyKHNDMNLIZFILBH-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
CID 177465665
1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
1-(2-nitroethyl)naphthalen-2-ol
CID 13357014
4-(2-hydroxynaphthalen-1-yl)-2-oxobutanoic acid
CID 82185756
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
1-(2-amino-4-methylpentyl)naphthalen-2-ol
CID 55112516
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
CID 82983291

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminooxyethyl)naphthalen-2-ol?
The IUPAC name of 1-(2-aminooxyethyl)naphthalen-2-ol (CID 117291431) is 1-(2-aminooxyethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-aminooxyethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-aminooxyethyl)naphthalen-2-ol is NOCCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-aminooxyethyl)naphthalen-2-ol?
The InChIKey is KHNDMNLIZFILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-15-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6,14H,7-8,13H2.
What are the key properties of 1-(2-aminooxyethyl)naphthalen-2-ol?
1-(2-aminooxyethyl)naphthalen-2-ol has a molecular weight of 203.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminooxyethyl)naphthalen-2-ol is sourced from PubChem (CID 117291431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).