1-(1-amino-2-hydroxyethyl)naphthalen-2-ol

C12H13NO2 — CID 77129792

IUPAC1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
SMILESNC(CO)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H13NO2/c13-10(7-14)12-9-4-2-1-3-8(9)5-6-11(12)15/h1-6,10,14-15H,7,13H2
InChIKeySCCQMKSVLGCKOO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.54
Rot. Bonds2

About 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol

1-(1-amino-2-hydroxyethyl)naphthalen-2-ol (PubChem CID 77129792) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
PubChem CID77129792
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
SMILESNC(CO)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H13NO2/c13-10(7-14)12-9-4-2-1-3-8(9)5-6-11(12)15/h1-6,10,14-15H,7,13H2
InChIKeySCCQMKSVLGCKOO-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171250512
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171243783

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol?
The IUPAC name of 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol (CID 77129792) is 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol?
The canonical SMILES for 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol is NC(CO)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol?
The InChIKey is SCCQMKSVLGCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-10(7-14)12-9-4-2-1-3-8(9)5-6-11(12)15/h1-6,10,14-15H,7,13H2.
What are the key properties of 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol?
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol has a molecular weight of 203.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-hydroxyethyl)naphthalen-2-ol is sourced from PubChem (CID 77129792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).