(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol

C14H17NO — CID 171161126

IUPAC(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
SMILESCC[C@H](O)[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-2-13(16)14(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13-14,16H,2,15H2,1H3/t13-,14+/m0/s1
InChIKeyZOMUDGBRAHTYGG-UONOGXRCSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds3

About (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol

(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol (PubChem CID 171161126) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
PubChem CID171161126
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
SMILESCC[C@H](O)[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-2-13(16)14(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13-14,16H,2,15H2,1H3/t13-,14+/m0/s1
InChIKeyZOMUDGBRAHTYGG-UONOGXRCSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-pyren-1-ylbutan-2-ol;hydrochloride
CID 171271987
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol (CID 171161126) is (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol is CC[C@H](O)[C@H](N)c1cccc2ccccc12.
What is the InChIKey of (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol?
The InChIKey is ZOMUDGBRAHTYGG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-13(16)14(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13-14,16H,2,15H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol?
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol has a molecular weight of 215.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol is sourced from PubChem (CID 171161126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).