[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine

C15H17NO — CID 118052996

IUPAC[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C15H17NO/c16-10-14-7-8-15(17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,16H2/t14-,15-/m0/s1
InChIKeyBVTKYAZPIRQNNS-GJZGRUSLSA-N
MW227.31 g/mol
LogP3.02
Rot. Bonds2

About [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine

[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine (PubChem CID 118052996) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
PubChem CID118052996
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C15H17NO/c16-10-14-7-8-15(17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,16H2/t14-,15-/m0/s1
InChIKeyBVTKYAZPIRQNNS-GJZGRUSLSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-naphthalen-2-yloxolan-2-yl)methanamine
CID 11637187
2-naphthalen-2-yl-5-[5-(5-naphthalen-2-yloxolan-2-yl)pentyl]oxolane
CID 158146426
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 154451237
(2R)-2-anthracen-2-yloxirane
CID 129361736
[(2S)-6-[3-(trifluoromethyl)phenyl]oxan-2-yl]methanamine
CID 134408200
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
(2S,4R)-4-fluoro-2-naphthalen-2-yloxane
CID 155927148

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine?
The IUPAC name of [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine (CID 118052996) is [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine.
What is the SMILES notation for [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine?
The canonical SMILES for [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine is NC[C@@H]1CC[C@@H](c2ccc3ccccc3c2)O1.
What is the InChIKey of [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine?
The InChIKey is BVTKYAZPIRQNNS-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H17NO/c16-10-14-7-8-15(17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,16H2/t14-,15-/m0/s1.
What are the key properties of [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine?
[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine is sourced from PubChem (CID 118052996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).