(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

C17H19NO — CID 45380184

IUPAC(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3/t15-,16-,17+/m0/s1
InChIKeyVNJFIBFHISUZRV-YESZJQIVSA-N
MW253.35 g/mol
LogP2.57
Rot. Bonds3

About (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 45380184) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID45380184
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3/t15-,16-,17+/m0/s1
InChIKeyVNJFIBFHISUZRV-YESZJQIVSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Centanafadine Hydrochloride
CID 68943792
1-(Methoxymethyl)-6-(naphthalen-2-yl)-3-azabicyclo[4.1.0]heptane
CID 24803184
(1R,5R,6R)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 25025779
4-(2-Methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride
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4-(2-Methoxy-1-naphthalen-2-ylethyl)piperidine
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2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 25166
1-(4-Methylnaphthalen-1-yl)-3-azabicyclo[3.1.0]hexane
CID 16068422
2-(3-Naphthalen-2-ylpyrrolidin-3-yl)ethanol
CID 18333425
2-(3-Naphthalen-1-ylpyrrolidin-3-yl)ethanol
CID 19970125
4-(Methoxymethyl)-4-(naphthalen-2-ylmethyl)piperidine
CID 24783283
(1S,6R)-1-(methoxymethyl)-6-naphthalen-2-yl-3-azabicyclo[4.1.0]heptane
CID 24803183
(3S,4S)-3-[4-[2-(3-methoxypropyl)phenyl]-2-methylphenyl]-4-phenylpiperidine
CID 46932602

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (CID 45380184) is (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is COC[C@H]1[C@@H]2CNC[C@@]21c1ccc2ccccc2c1.
What is the InChIKey of (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is VNJFIBFHISUZRV-YESZJQIVSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3/t15-,16-,17+/m0/s1.
What are the key properties of (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 253.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 45380184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).