(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol

C13H15NO — CID 57252069

IUPAC(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
SMILESN[C@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9,14H2/t12-/m0/s1
InChIKeyIOXYAALIVGXTGR-LBPRGKRZSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds3

About (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol

(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol (PubChem CID 57252069) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
PubChem CID57252069
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
SMILESN[C@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9,14H2/t12-/m0/s1
InChIKeyIOXYAALIVGXTGR-LBPRGKRZSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
2-amino-3-(6-octylnaphthalen-1-yl)propan-1-ol
CID 70863301
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile
CID 95032246
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol?
The IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol (CID 57252069) is (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol is N[C@H](CO)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol?
The InChIKey is IOXYAALIVGXTGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9,14H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol?
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 57252069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).