8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C16H21NO — CID 163236345

IUPAC8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1ccc2c(c1)CC[C@H](N1C3CCC1COC3)C2
InChIInChI=1S/C16H21NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h1-4,14-16H,5-11H2/t14-,15?,16?/m0/s1
InChIKeyNGFOZGIJAGLCFR-FHERZECASA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds1

About 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 163236345) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID163236345
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1ccc2c(c1)CC[C@H](N1C3CCC1COC3)C2
InChIInChI=1S/C16H21NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h1-4,14-16H,5-11H2/t14-,15?,16?/m0/s1
InChIKeyNGFOZGIJAGLCFR-FHERZECASA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61236085
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 163236344
8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 156837988
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
4-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-amine
CID 7446094
1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
CID 91019399
1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one
CID 113296320
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 163236345) is 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is c1ccc2c(c1)CC[C@H](N1C3CCC1COC3)C2.
What is the InChIKey of 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is NGFOZGIJAGLCFR-FHERZECASA-N. The full InChI is InChI=1S/C16H21NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h1-4,14-16H,5-11H2/t14-,15?,16?/m0/s1.
What are the key properties of 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 243.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163236345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).