1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride

C14H16ClNO — CID 171232050

IUPAC1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
SMILESC=CC[C@H](N)c1c(O)ccc2ccccc12.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-5-12(15)14-11-7-4-3-6-10(11)8-9-13(14)16;/h2-4,6-9,12,16H,1,5,15H2;1H/t12-;/m0./s1
InChIKeyNXFRZGLJHSCKBH-YDALLXLXSA-N
MW249.74 g/mol
LogP3.54
Rot. Bonds3

About 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride

1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride (PubChem CID 171232050) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
PubChem CID171232050
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
SMILESC=CC[C@H](N)c1c(O)ccc2ccccc12.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-5-12(15)14-11-7-4-3-6-10(11)8-9-13(14)16;/h2-4,6-9,12,16H,1,5,15H2;1H/t12-;/m0./s1
InChIKeyNXFRZGLJHSCKBH-YDALLXLXSA-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 171197568
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
CID 171208887
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-but-3-en-2-ylnaphthalen-2-ol
CID 15324471
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride (CID 171232050) is 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride is C=CC[C@H](N)c1c(O)ccc2ccccc12.Cl.
What is the InChIKey of 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride?
The InChIKey is NXFRZGLJHSCKBH-YDALLXLXSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-2-5-12(15)14-11-7-4-3-6-10(11)8-9-13(14)16;/h2-4,6-9,12,16H,1,5,15H2;1H/t12-;/m0./s1.
What are the key properties of 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride?
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-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 1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171232050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).