2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile

C12H14Cl2N2 — CID 115129625

IUPAC2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c1-12(2,8-15)16-6-5-9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6H2,1-2H3
InChIKeyXVSKZNRUQFNXQY-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile

2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile (PubChem CID 115129625) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile
PubChem CID115129625
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c1-12(2,8-15)16-6-5-9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6H2,1-2H3
InChIKeyXVSKZNRUQFNXQY-UHFFFAOYSA-N
XLogP3.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
CID 110614985
2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
CID 115130451
3-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
CID 69122479
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylpropanenitrile
CID 115129256
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866
2-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanenitrile
CID 115129595
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanenitrile
CID 84751936
2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
CID 115129556
3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile (CID 115129625) is 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile is CC(C)(C#N)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile?
The InChIKey is XVSKZNRUQFNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-12(2,8-15)16-6-5-9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile?
2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile has a molecular weight of 257.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).