2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile

C10H11ClN2O — CID 116851014

IUPAC2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1cc(C)c(C(N)C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-6-3-10(14-2)8(11)4-7(6)9(13)5-12/h3-4,9H,13H2,1-2H3
InChIKeyBQEZSHJDASNVOQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile

2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile (PubChem CID 116851014) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
PubChem CID116851014
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1cc(C)c(C(N)C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-6-3-10(14-2)8(11)4-7(6)9(13)5-12/h3-4,9H,13H2,1-2H3
InChIKeyBQEZSHJDASNVOQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile 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-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
CID 116834335
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile (CID 116851014) is 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile is COc1cc(C)c(C(N)C#N)cc1Cl.
What is the InChIKey of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile?
The InChIKey is BQEZSHJDASNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-3-10(14-2)8(11)4-7(6)9(13)5-12/h3-4,9H,13H2,1-2H3.
What are the key properties of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile?
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile is sourced from PubChem (CID 116851014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).