4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride

C14H18ClNO — CID 171228471

IUPAC4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
SMILESCCC[C@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C14H17NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h3-4,6-9,13,16H,2,5,15H2,1H3;1H/t13-;/m0./s1
InChIKeyYWTJZIFLXIORTM-ZOWNYOTGSA-N
MW251.76 g/mol
LogP3.77
Rot. Bonds3

About 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride

4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride (PubChem CID 171228471) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
PubChem CID171228471
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
SMILESCCC[C@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C14H17NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h3-4,6-9,13,16H,2,5,15H2,1H3;1H/t13-;/m0./s1
InChIKeyYWTJZIFLXIORTM-ZOWNYOTGSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
CID 171208887
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride (CID 171228471) is 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride is CCC[C@H](N)c1ccc(O)c2ccccc12.Cl.
What is the InChIKey of 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride?
The InChIKey is YWTJZIFLXIORTM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c1-2-5-13(15)11-8-9-14(16)12-7-4-3-6-10(11)12;/h3-4,6-9,13,16H,2,5,15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride?
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171228471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).