5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile

C12H14FN3O — CID 115324146

IUPAC5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCC1CNCCO1
InChIInChI=1S/C12H14FN3O/c13-10-1-2-12(9(5-10)6-14)16-8-11-7-15-3-4-17-11/h1-2,5,11,15-16H,3-4,7-8H2
InChIKeySIJOULLRKIXMEY-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.10
Rot. Bonds3

About 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile

5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile (PubChem CID 115324146) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile
PubChem CID115324146
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCC1CNCCO1
InChIInChI=1S/C12H14FN3O/c13-10-1-2-12(9(5-10)6-14)16-8-11-7-15-3-4-17-11/h1-2,5,11,15-16H,3-4,7-8H2
InChIKeySIJOULLRKIXMEY-UHFFFAOYSA-N
XLogP1.10
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
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3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
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2-(morpholin-2-ylmethoxy)benzonitrile
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2-N-(5-ethynylpyrazin-2-yl)-5-(4-fluorophenyl)-4-N-[[(2S)-morpholin-2-yl]methyl]pyridine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile (CID 115324146) is 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile is N#Cc1cc(F)ccc1NCC1CNCCO1.
What is the InChIKey of 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile?
The InChIKey is SIJOULLRKIXMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-10-1-2-12(9(5-10)6-14)16-8-11-7-15-3-4-17-11/h1-2,5,11,15-16H,3-4,7-8H2.
What are the key properties of 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile?
5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile has a molecular weight of 235.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 115324146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).