[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C16H17NO — CID 59180268

IUPAC[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CNC[C@@]12c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO/c18-9-15-14-8-17-10-16(14,15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-15,17-18H,8-10H2/t14-,15?,16+/m1/s1
InChIKeyICQWDZRYVNRBFO-TUOGLVOQSA-N
MW239.32 g/mol
LogP1.92
Rot. Bonds2

About [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 59180268) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID59180268
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CNC[C@@]12c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO/c18-9-15-14-8-17-10-16(14,15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-15,17-18H,8-10H2/t14-,15?,16+/m1/s1
InChIKeyICQWDZRYVNRBFO-TUOGLVOQSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 56667523
(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 45380184
[(1S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 143697511
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391718
trans-(1S,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
CID 118549121
(5R)-6-(cyclopentyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 143697516
(1S,5S,6S)-6-(cyclohexyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 45380065
(1S,5S,6S)-6-(cyclobutyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 46228636
(1R,2S,3R,4R)-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 139599106
trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
CID 175100911
(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 130763524
4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
CID 67559449

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 59180268) is [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1[C@H]2CNC[C@@]12c1ccc2ccccc2c1.
What is the InChIKey of [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is ICQWDZRYVNRBFO-TUOGLVOQSA-N. The full InChI is InChI=1S/C16H17NO/c18-9-15-14-8-17-10-16(14,15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-15,17-18H,8-10H2/t14-,15?,16+/m1/s1.
What are the key properties of [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 59180268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).