2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile

C19H20FN3O — CID 8569009

IUPAC2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H20FN3O/c20-18-6-3-7-19(17(18)12-21)22-13-15-4-1-2-5-16(15)14-23-8-10-24-11-9-23/h1-7,22H,8-11,13-14H2
InChIKeyQADGRAIGPAMXNH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.14
Rot. Bonds5

About 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile

2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile (PubChem CID 8569009) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
PubChem CID8569009
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H20FN3O/c20-18-6-3-7-19(17(18)12-21)22-13-15-4-1-2-5-16(15)14-23-8-10-24-11-9-23/h1-7,22H,8-11,13-14H2
InChIKeyQADGRAIGPAMXNH-UHFFFAOYSA-N
XLogP3.14
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
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2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
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1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
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CID 56787279
2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]benzonitrile
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2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-[2-(azepan-1-yl)ethylamino]-6-fluorobenzonitrile
CID 52855451
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
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2-fluoro-6-(1,2-oxazol-4-ylmethylamino)benzonitrile
CID 60871325

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile (CID 8569009) is 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile is N#Cc1c(F)cccc1NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile?
The InChIKey is QADGRAIGPAMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-18-6-3-7-19(17(18)12-21)22-13-15-4-1-2-5-16(15)14-23-8-10-24-11-9-23/h1-7,22H,8-11,13-14H2.
What are the key properties of 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile?
2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile has a molecular weight of 325.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 8569009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).