6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride

C14H18ClNO2 — CID 171201678

IUPAC6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H17NO2.ClH/c15-14(2-1-7-16)12-4-3-11-9-13(17)6-5-10(11)8-12;/h3-6,8-9,14,16-17H,1-2,7,15H2;1H/t14-;/m1./s1
InChIKeyRZTJHEVYCWVTOC-PFEQFJNWSA-N
MW267.76 g/mol
LogP2.74
Rot. Bonds4

About 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride

6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride (PubChem CID 171201678) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
PubChem CID171201678
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H17NO2.ClH/c15-14(2-1-7-16)12-4-3-11-9-13(17)6-5-10(11)8-12;/h3-6,8-9,14,16-17H,1-2,7,15H2;1H/t14-;/m1./s1
InChIKeyRZTJHEVYCWVTOC-PFEQFJNWSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[(1R)-1-amino-4-hydroxybutyl]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

6-[(1S)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171221215
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
6-[(1R)-1-amino-2-fluoroethyl]naphthalen-2-ol;hydrochloride
CID 171221161
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171201666
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
6-(1-hydroxypentan-3-yl)naphthalen-2-ol
CID 69467635
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride (CID 171201678) is 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride is Cl.N[C@H](CCCO)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride?
The InChIKey is RZTJHEVYCWVTOC-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c15-14(2-1-7-16)12-4-3-11-9-13(17)6-5-10(11)8-12;/h3-6,8-9,14,16-17H,1-2,7,15H2;1H/t14-;/m1./s1.
What are the key properties of 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride?
6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171201678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).