4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile

C11H12ClN3O — CID 104834711

IUPAC4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2cccc(Cl)c2N)CCO1
InChIInChI=1S/C11H12ClN3O/c12-9-2-1-3-10(11(9)14)15-4-5-16-8(6-13)7-15/h1-3,8H,4-5,7,14H2
InChIKeyPFQGRZOVVBJXRK-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.65
Rot. Bonds1

About 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile

4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile (PubChem CID 104834711) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
PubChem CID104834711
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2cccc(Cl)c2N)CCO1
InChIInChI=1S/C11H12ClN3O/c12-9-2-1-3-10(11(9)14)15-4-5-16-8(6-13)7-15/h1-3,8H,4-5,7,14H2
InChIKeyPFQGRZOVVBJXRK-UHFFFAOYSA-N
XLogP1.65
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.65
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-aminophenyl)morpholine-2-carbonitrile
CID 79674348
4-[4-(bromomethyl)-2-chlorophenyl]morpholine-2-carbonitrile
CID 107084476
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
CID 117009748
4-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
2-chloro-6-(1,4-oxazepan-4-yl)aniline
CID 104834491
4-(2-amino-4,5-dimethoxyphenyl)morpholine-2-carbonitrile
CID 83008570
4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
CID 79675043
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile (CID 104834711) is 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile is N#CC1CN(c2cccc(Cl)c2N)CCO1.
What is the InChIKey of 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile?
The InChIKey is PFQGRZOVVBJXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-2-1-3-10(11(9)14)15-4-5-16-8(6-13)7-15/h1-3,8H,4-5,7,14H2.
What are the key properties of 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile?
4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile has a molecular weight of 237.69 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 104834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).