1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride

C13H16ClNO2 — CID 171264640

IUPAC1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1c(O)ccc2ccccc12.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-8(15)13(14)12-10-5-3-2-4-9(10)6-7-11(12)16;/h2-8,13,15-16H,14H2,1H3;1H/t8-,13-;/m0./s1
InChIKeyLOVQYAAAMSKKMA-GAYVKDPFSA-N
MW253.73 g/mol
LogP2.35
Rot. Bonds2

About 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride

1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride (PubChem CID 171264640) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
PubChem CID171264640
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1c(O)ccc2ccccc12.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-8(15)13(14)12-10-5-3-2-4-9(10)6-7-11(12)16;/h2-8,13,15-16H,14H2,1H3;1H/t8-,13-;/m0./s1
InChIKeyLOVQYAAAMSKKMA-GAYVKDPFSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.35
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-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171243784
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171250513
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride (CID 171264640) is 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride is C[C@H](O)[C@H](N)c1c(O)ccc2ccccc12.Cl.
What is the InChIKey of 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride?
The InChIKey is LOVQYAAAMSKKMA-GAYVKDPFSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c1-8(15)13(14)12-10-5-3-2-4-9(10)6-7-11(12)16;/h2-8,13,15-16H,14H2,1H3;1H/t8-,13-;/m0./s1.
What are the key properties of 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride?
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171264640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).