4-(2-aminophenyl)morpholine-2-carbonitrile

C11H13N3O — CID 79674348

IUPAC4-(2-aminophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccccc2N)CCO1
InChIInChI=1S/C11H13N3O/c12-7-9-8-14(5-6-15-9)11-4-2-1-3-10(11)13/h1-4,9H,5-6,8,13H2
InChIKeyJHVDCNXLAIOAMY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.00
Rot. Bonds1

About 4-(2-aminophenyl)morpholine-2-carbonitrile

4-(2-aminophenyl)morpholine-2-carbonitrile (PubChem CID 79674348) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(2-aminophenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-aminophenyl)morpholine-2-carbonitrile
PubChem CID79674348
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(2-aminophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccccc2N)CCO1
InChIInChI=1S/C11H13N3O/c12-7-9-8-14(5-6-15-9)11-4-2-1-3-10(11)13/h1-4,9H,5-6,8,13H2
InChIKeyJHVDCNXLAIOAMY-UHFFFAOYSA-N
XLogP1.00
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
CID 104834711
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
4-(2-amino-4,5-dimethoxyphenyl)morpholine-2-carbonitrile
CID 83008570
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
CID 79675043
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79674361
4-(2-amino-4-fluoro-5-propoxyphenyl)morpholine-2-carbonitrile
CID 79674522

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-aminophenyl)morpholine-2-carbonitrile (CID 79674348) is 4-(2-aminophenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-aminophenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-aminophenyl)morpholine-2-carbonitrile is N#CC1CN(c2ccccc2N)CCO1.
What is the InChIKey of 4-(2-aminophenyl)morpholine-2-carbonitrile?
The InChIKey is JHVDCNXLAIOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-9-8-14(5-6-15-9)11-4-2-1-3-10(11)13/h1-4,9H,5-6,8,13H2.
What are the key properties of 4-(2-aminophenyl)morpholine-2-carbonitrile?
4-(2-aminophenyl)morpholine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).