2-amino-4-(2,6-dichlorophenoxy)butanenitrile

C10H10Cl2N2O — CID 82023057

IUPAC2-amino-4-(2,6-dichlorophenoxy)butanenitrile
SMILESN#CC(N)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-8-2-1-3-9(12)10(8)15-5-4-7(14)6-13/h1-3,7H,4-5,14H2
InChIKeyJRVZSWJXMQRQOO-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-4-(2,6-dichlorophenoxy)butanenitrile

2-amino-4-(2,6-dichlorophenoxy)butanenitrile (PubChem CID 82023057) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichlorophenoxy)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-dichlorophenoxy)butanenitrile
PubChem CID82023057
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name2-amino-4-(2,6-dichlorophenoxy)butanenitrile
SMILESN#CC(N)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-8-2-1-3-9(12)10(8)15-5-4-7(14)6-13/h1-3,7H,4-5,14H2
InChIKeyJRVZSWJXMQRQOO-UHFFFAOYSA-N
XLogP2.61
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(2,6-dichlorophenoxy)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
2-(2,6-dichlorophenoxy)acetonitrile
CID 2799245
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
2-amino-3-(2,3-dichlorophenyl)propanenitrile
CID 152753494
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66220674
5-(2-chloro-6-fluorophenoxy)pentanenitrile
CID 83050668
2-(2-amino-6-chlorophenoxy)propanenitrile
CID 107715942
5-[2-(2-aminobutyl)-6-chlorophenoxy]pentanenitrile
CID 112615742
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichlorophenoxy)butanenitrile?
The IUPAC name of 2-amino-4-(2,6-dichlorophenoxy)butanenitrile (CID 82023057) is 2-amino-4-(2,6-dichlorophenoxy)butanenitrile.
What is the SMILES notation for 2-amino-4-(2,6-dichlorophenoxy)butanenitrile?
The canonical SMILES for 2-amino-4-(2,6-dichlorophenoxy)butanenitrile is N#CC(N)CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-4-(2,6-dichlorophenoxy)butanenitrile?
The InChIKey is JRVZSWJXMQRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-8-2-1-3-9(12)10(8)15-5-4-7(14)6-13/h1-3,7H,4-5,14H2.
What are the key properties of 2-amino-4-(2,6-dichlorophenoxy)butanenitrile?
2-amino-4-(2,6-dichlorophenoxy)butanenitrile has a molecular weight of 245.11 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichlorophenoxy)butanenitrile is sourced from PubChem (CID 82023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).