(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane

C19H25FN2O — CID 174236325

IUPAC(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cccc2c1CN([C@H]1CCOC3(C1)CN(C1CC1)C3)CC2
InChIInChI=1S/C19H25FN2O/c20-18-3-1-2-14-6-8-21(11-17(14)18)16-7-9-23-19(10-16)12-22(13-19)15-4-5-15/h1-3,15-16H,4-13H2/t16-/m0/s1
InChIKeyNHZLEVPWKSZOFA-INIZCTEOSA-N
MW316.42 g/mol
LogP2.58
Rot. Bonds2

About (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 174236325) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID174236325
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cccc2c1CN([C@H]1CCOC3(C1)CN(C1CC1)C3)CC2
InChIInChI=1S/C19H25FN2O/c20-18-3-1-2-14-6-8-21(11-17(14)18)16-7-9-23-19(10-16)12-22(13-19)15-4-5-15/h1-3,15-16H,4-13H2/t16-/m0/s1
InChIKeyNHZLEVPWKSZOFA-INIZCTEOSA-N
XLogP2.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclopropylmethoxy)-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
CID 124044957
(9aS)-8-[(5-fluoro-2-methylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 124256110
N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166655001
N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine
CID 166673590
8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236278
1-[(8S)-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 174236295
(1S,4R)-1-[(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 174236307
8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236313
1-[(8R)-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 174236326
8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
CID 174236347
[2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-5-fluorophenyl]methanamine
CID 63289333
[2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine
CID 64770651

Frequently Asked Questions

What is the IUPAC name of (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 174236325) is (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane is Fc1cccc2c1CN([C@H]1CCOC3(C1)CN(C1CC1)C3)CC2.
What is the InChIKey of (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is NHZLEVPWKSZOFA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-18-3-1-2-14-6-8-21(11-17(14)18)16-7-9-23-19(10-16)12-22(13-19)15-4-5-15/h1-3,15-16H,4-13H2/t16-/m0/s1.
What are the key properties of (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 316.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 174236325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).