6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride

C15H18ClNO — CID 171201666

IUPAC6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
SMILESC=C(C)C[C@@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-10(2)7-15(16)13-4-3-12-9-14(17)6-5-11(12)8-13;/h3-6,8-9,15,17H,1,7,16H2,2H3;1H/t15-;/m1./s1
InChIKeyODXVXAVIIPDJGV-XFULWGLBSA-N
MW263.77 g/mol
LogP3.93
Rot. Bonds3

About 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride

6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride (PubChem CID 171201666) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
PubChem CID171201666
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
SMILESC=C(C)C[C@@H](N)c1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-10(2)7-15(16)13-4-3-12-9-14(17)6-5-11(12)8-13;/h3-6,8-9,15,17H,1,7,16H2,2H3;1H/t15-;/m1./s1
InChIKeyODXVXAVIIPDJGV-XFULWGLBSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(1R)-1-amino-3-methylbut-3-enyl]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)-1-amino-3-methylbut-3-enyl]benzene-1,2-diol;hydrochloride
CID 171217616
6-[(1R)-1-amino-2-fluoroethyl]naphthalen-2-ol;hydrochloride
CID 171221161
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
CID 171203537
6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171201678
6-[(1S)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171221215
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
(1S)-3-methyl-1-(4-methylphenyl)but-3-en-1-amine
CID 130989094
4-[(1R)-1-amino-3-methylbut-3-enyl]-2,6-dimethylphenol;hydrochloride
CID 171205077

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride (CID 171201666) is 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride is C=C(C)C[C@@H](N)c1ccc2cc(O)ccc2c1.Cl.
What is the InChIKey of 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride?
The InChIKey is ODXVXAVIIPDJGV-XFULWGLBSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-10(2)7-15(16)13-4-3-12-9-14(17)6-5-11(12)8-13;/h3-6,8-9,15,17H,1,7,16H2,2H3;1H/t15-;/m1./s1.
What are the key properties of 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride?
6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171201666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).