2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile

C12H15ClN2O — CID 64573225

IUPAC2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
SMILESCCC(C)(N)COc1cccc(Cl)c1C#N
InChIInChI=1S/C12H15ClN2O/c1-3-12(2,15)8-16-11-6-4-5-10(13)9(11)7-14/h4-6H,3,8,15H2,1-2H3
InChIKeyUCIRIBDJTGCMQZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile

2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile (PubChem CID 64573225) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
PubChem CID64573225
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
SMILESCCC(C)(N)COc1cccc(Cl)c1C#N
InChIInChI=1S/C12H15ClN2O/c1-3-12(2,15)8-16-11-6-4-5-10(13)9(11)7-14/h4-6H,3,8,15H2,1-2H3
InChIKeyUCIRIBDJTGCMQZ-UHFFFAOYSA-N
XLogP2.72
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile 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

ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-chloro-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
CID 46833662
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile?
The IUPAC name of 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile (CID 64573225) is 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile?
The canonical SMILES for 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile is CCC(C)(N)COc1cccc(Cl)c1C#N.
What is the InChIKey of 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile?
The InChIKey is UCIRIBDJTGCMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-12(2,15)8-16-11-6-4-5-10(13)9(11)7-14/h4-6H,3,8,15H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile?
2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile has a molecular weight of 238.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile is sourced from PubChem (CID 64573225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).