2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile

C15H20FN3O — CID 64533897

IUPAC2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
SMILESCC(C)N1CCOC(CNc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-6-7-20-12(10-19)9-18-15-5-3-4-14(16)13(15)8-17/h3-5,11-12,18H,6-7,9-10H2,1-2H3
InChIKeyQGBBYZGQPLHEAU-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.22
Rot. Bonds4

About 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile

2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile (PubChem CID 64533897) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
PubChem CID64533897
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
SMILESCC(C)N1CCOC(CNc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-6-7-20-12(10-19)9-18-15-5-3-4-14(16)13(15)8-17/h3-5,11-12,18H,6-7,9-10H2,1-2H3
InChIKeyQGBBYZGQPLHEAU-UHFFFAOYSA-N
XLogP2.22
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533688
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
2-[(4-ethylmorpholin-2-yl)methylamino]-6-ethylsulfanylbenzonitrile
CID 114400094
3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533496
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 64534290
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 64534098
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile (CID 64533897) is 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile is CC(C)N1CCOC(CNc2cccc(F)c2C#N)C1.
What is the InChIKey of 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile?
The InChIKey is QGBBYZGQPLHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(2)19-6-7-20-12(10-19)9-18-15-5-3-4-14(16)13(15)8-17/h3-5,11-12,18H,6-7,9-10H2,1-2H3.
What are the key properties of 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile?
2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile has a molecular weight of 277.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 64533897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).