4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride

C14H16ClNO — CID 171208887

IUPAC4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
SMILESC=CC[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h2-4,6-9,13,16H,1,5,15H2;1H/t13-;/m1./s1
InChIKeyBCEUIONDGDZUBK-BTQNPOSSSA-N
MW249.74 g/mol
LogP3.54
Rot. Bonds3

About 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride

4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride (PubChem CID 171208887) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
PubChem CID171208887
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
SMILESC=CC[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h2-4,6-9,13,16H,1,5,15H2;1H/t13-;/m1./s1
InChIKeyBCEUIONDGDZUBK-BTQNPOSSSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1R)-1-aminobut-3-enyl]benzene-1,2,3-triol
CID 130649274
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
CID 171292390
2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629
2-[(1R)-1-aminobut-3-enyl]-4-methylphenol;hydrochloride
CID 171202308
3-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 130779704
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride (CID 171208887) is 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride is C=CC[C@@H](N)c1ccc(O)c2ccccc12.Cl.
What is the InChIKey of 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride?
The InChIKey is BCEUIONDGDZUBK-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h2-4,6-9,13,16H,1,5,15H2;1H/t13-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride?
4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171208887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).