2-(2-chlorophenyl)-2-(ethylamino)acetonitrile

C10H11ClN2 — CID 25213809

IUPAC2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-6,10,13H,2H2,1H3
InChIKeyRPXPRZSTOUWRRG-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile

2-(2-chlorophenyl)-2-(ethylamino)acetonitrile (PubChem CID 25213809) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
PubChem CID25213809
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-6,10,13H,2H2,1H3
InChIKeyRPXPRZSTOUWRRG-UHFFFAOYSA-N
XLogP2.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 82019870
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757
4-[[(2-chlorophenyl)-cyanomethyl]amino]-4-oxobutanoic acid
CID 70211689
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine
CID 104995728
2-(2,3-dichlorophenyl)-2-(3-methoxypropylamino)acetonitrile
CID 112500817
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
CID 99818947
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile (CID 25213809) is 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile is CCNC(C#N)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile?
The InChIKey is RPXPRZSTOUWRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-2-13-10(7-12)8-5-3-4-6-9(8)11/h3-6,10,13H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile?
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(ethylamino)acetonitrile is sourced from PubChem (CID 25213809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).