2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile

C11H10Cl2N2 — CID 43151713

IUPAC2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2/c12-7-1-4-9(10(13)5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2
InChIKeyMVFJPGMJJKBGJC-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.31
Rot. Bonds3

About 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile

2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 43151713) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID43151713
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2/c12-7-1-4-9(10(13)5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2
InChIKeyMVFJPGMJJKBGJC-UHFFFAOYSA-N
XLogP3.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 84816951
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile (CID 43151713) is 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile is N#CC(NC1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is MVFJPGMJJKBGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c12-7-1-4-9(10(13)5-7)11(6-14)15-8-2-3-8/h1,4-5,8,11,15H,2-3H2.
What are the key properties of 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile?
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 241.12 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 43151713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).