5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile

C21H21ClN2O2 — CID 58393721

IUPAC5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCOCC1
InChIInChI=1S/C21H21ClN2O2/c22-17-6-8-20(16(13-17)14-23)26-21-18-4-2-1-3-15(18)5-7-19(21)24-9-11-25-12-10-24/h1-4,6,8,13,19,21H,5,7,9-12H2/t19-,21-/m0/s1
InChIKeyVUGXICIVNUTSBF-FPOVZHCZSA-N
MW368.86 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile

5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile (PubChem CID 58393721) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
PubChem CID58393721
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCOCC1
InChIInChI=1S/C21H21ClN2O2/c22-17-6-8-20(16(13-17)14-23)26-21-18-4-2-1-3-15(18)5-7-19(21)24-9-11-25-12-10-24/h1-4,6,8,13,19,21H,5,7,9-12H2/t19-,21-/m0/s1
InChIKeyVUGXICIVNUTSBF-FPOVZHCZSA-N
XLogP3.98
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile with MolForge

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Related Compounds

2-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzonitrile
CID 58394036
2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
CID 58394097
4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
CID 58393669
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
CID 58393446
4-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethoxy)benzonitrile
CID 80710481
4-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-3,5-dimethylbenzonitrile
CID 58393944
(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393636
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393748
(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58394228
5-chloro-2-(3,4-dimethylcyclohexyl)oxybenzonitrile
CID 64745942
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
5-chloro-2-(morpholin-4-ylmethyl)benzonitrile
CID 118537804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The IUPAC name of 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile (CID 58393721) is 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile is N#Cc1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCOCC1.
What is the InChIKey of 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The InChIKey is VUGXICIVNUTSBF-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-17-6-8-20(16(13-17)14-23)26-21-18-4-2-1-3-15(18)5-7-19(21)24-9-11-25-12-10-24/h1-4,6,8,13,19,21H,5,7,9-12H2/t19-,21-/m0/s1.
What are the key properties of 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile has a molecular weight of 368.86 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile is sourced from PubChem (CID 58393721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).