6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride

C15H20ClNO2 — CID 171267170

IUPAC6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-9(2)15(18)14(16)12-4-3-11-8-13(17)6-5-10(11)7-12;/h3-9,14-15,17-18H,16H2,1-2H3;1H/t14-,15+;/m0./s1
InChIKeyDQVLYEAZSXHLDD-LDXVYITESA-N
MW281.78 g/mol
LogP2.98
Rot. Bonds3

About 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride

6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride (PubChem CID 171267170) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
PubChem CID171267170
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-9(2)15(18)14(16)12-4-3-11-8-13(17)6-5-10(11)7-12;/h3-9,14-15,17-18H,16H2,1-2H3;1H/t14-,15+;/m0./s1
InChIKeyDQVLYEAZSXHLDD-LDXVYITESA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]benzene-1,3-diol;hydrochloride
CID 171160934
6-(1-iodoethyl)naphthalen-2-ol
CID 147688563
6-[(1R)-1-amino-2-fluoroethyl]naphthalen-2-ol;hydrochloride
CID 171221161
ethyl (3R)-3-amino-2-fluoro-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 171240201
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-ditert-butylphenol;hydrochloride
CID 171162052
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171201666
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride (CID 171267170) is 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride is CC(C)[C@@H](O)[C@@H](N)c1ccc2cc(O)ccc2c1.Cl.
What is the InChIKey of 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride?
The InChIKey is DQVLYEAZSXHLDD-LDXVYITESA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-9(2)15(18)14(16)12-4-3-11-8-13(17)6-5-10(11)7-12;/h3-9,14-15,17-18H,16H2,1-2H3;1H/t14-,15+;/m0./s1.
What are the key properties of 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride?
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171267170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).