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

C21H21FN2O2 — CID 58394097

IUPAC2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
SMILESN#Cc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)cc1F
InChIInChI=1S/C21H21FN2O2/c22-19-13-17(7-5-16(19)14-23)26-21-18-4-2-1-3-15(18)6-8-20(21)24-9-11-25-12-10-24/h1-5,7,13,20-21H,6,8-12H2/t20-,21-/m0/s1
InChIKeyMNNXVANVDBVLIM-SFTDATJTSA-N
MW352.41 g/mol
LogP3.46
Rot. Bonds3

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

2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile (PubChem CID 58394097) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
PubChem CID58394097
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
SMILESN#Cc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)cc1F
InChIInChI=1S/C21H21FN2O2/c22-19-13-17(7-5-16(19)14-23)26-21-18-4-2-1-3-15(18)6-8-20(21)24-9-11-25-12-10-24/h1-5,7,13,20-21H,6,8-12H2/t20-,21-/m0/s1
InChIKeyMNNXVANVDBVLIM-SFTDATJTSA-N
XLogP3.46
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
CID 58393721
2-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzonitrile
CID 58394036
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
CID 58393669
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393748
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-(4-methylsulfanylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393687
5-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-1,3-benzoxathiol-2-one
CID 58393825
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
4-[[(1R,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzonitrile
CID 167993650
2-fluoro-4-pyrrolidin-3-yloxybenzonitrile
CID 107923350

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile (CID 58394097) is 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile is N#Cc1ccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCOCC2)cc1F.
What is the InChIKey of 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
The InChIKey is MNNXVANVDBVLIM-SFTDATJTSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-19-13-17(7-5-16(19)14-23)26-21-18-4-2-1-3-15(18)6-8-20(21)24-9-11-25-12-10-24/h1-5,7,13,20-21H,6,8-12H2/t20-,21-/m0/s1.
What are the key properties of 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile?
2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile has a molecular weight of 352.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile is sourced from PubChem (CID 58394097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).