2-(2-amino-6-chlorophenoxy)propanenitrile

C9H9ClN2O — CID 107715942

IUPAC2-(2-amino-6-chlorophenoxy)propanenitrile
SMILESCC(C#N)Oc1c(N)cccc1Cl
InChIInChI=1S/C9H9ClN2O/c1-6(5-11)13-9-7(10)3-2-4-8(9)12/h2-4,6H,12H2,1H3
InChIKeyJJVYMKFBOSKZAG-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-amino-6-chlorophenoxy)propanenitrile

2-(2-amino-6-chlorophenoxy)propanenitrile (PubChem CID 107715942) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenoxy)propanenitrile.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenoxy)propanenitrile
PubChem CID107715942
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(2-amino-6-chlorophenoxy)propanenitrile
SMILESCC(C#N)Oc1c(N)cccc1Cl
InChIInChI=1S/C9H9ClN2O/c1-6(5-11)13-9-7(10)3-2-4-8(9)12/h2-4,6H,12H2,1H3
InChIKeyJJVYMKFBOSKZAG-UHFFFAOYSA-N
XLogP2.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
CID 103486425
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
2-(4-bromo-2,6-dichlorophenoxy)propanenitrile
CID 22688575
4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
2-amino-4-(2,6-dichlorophenoxy)butanenitrile
CID 82023057
3-chloro-2-propoxyaniline
CID 14618927
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 107715955
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenoxy)propanenitrile?
The IUPAC name of 2-(2-amino-6-chlorophenoxy)propanenitrile (CID 107715942) is 2-(2-amino-6-chlorophenoxy)propanenitrile.
What is the SMILES notation for 2-(2-amino-6-chlorophenoxy)propanenitrile?
The canonical SMILES for 2-(2-amino-6-chlorophenoxy)propanenitrile is CC(C#N)Oc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenoxy)propanenitrile?
The InChIKey is JJVYMKFBOSKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-6(5-11)13-9-7(10)3-2-4-8(9)12/h2-4,6H,12H2,1H3.
What are the key properties of 2-(2-amino-6-chlorophenoxy)propanenitrile?
2-(2-amino-6-chlorophenoxy)propanenitrile has a molecular weight of 196.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenoxy)propanenitrile is sourced from PubChem (CID 107715942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).