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

C15H20ClNO2 — CID 171261493

IUPAC6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-3-14(18)15(16)12-5-4-11-9-13(17)7-6-10(11)8-12;/h4-9,14-15,17-18H,2-3,16H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyNVABLBPKSRHZAA-LDXVYITESA-N
MW281.78 g/mol
LogP3.13
Rot. Bonds4

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

6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride (PubChem CID 171261493) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
PubChem CID171261493
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-3-14(18)15(16)12-5-4-11-9-13(17)7-6-10(11)8-12;/h4-9,14-15,17-18H,2-3,16H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyNVABLBPKSRHZAA-LDXVYITESA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
ethyl (3R)-3-amino-2-fluoro-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 171240201
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride (CID 171261493) is 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1ccc2cc(O)ccc2c1.Cl.
What is the InChIKey of 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride?
The InChIKey is NVABLBPKSRHZAA-LDXVYITESA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-3-14(18)15(16)12-5-4-11-9-13(17)7-6-10(11)8-12;/h4-9,14-15,17-18H,2-3,16H2,1H3;1H/t14-,15+;/m0./s1.
What are the key properties of 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride?
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171261493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).