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

C11H12Cl2N2 — CID 115130451

IUPAC2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
SMILESCC(C#N)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-8(7-14)15-5-4-9-2-3-10(12)11(13)6-9/h2-3,6,8,15H,4-5H2,1H3
InChIKeyQMDNFAPEAKLZTE-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.04
Rot. Bonds4

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

2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile (PubChem CID 115130451) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
PubChem CID115130451
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
SMILESCC(C#N)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-8(7-14)15-5-4-9-2-3-10(12)11(13)6-9/h2-3,6,8,15H,4-5H2,1H3
InChIKeyQMDNFAPEAKLZTE-UHFFFAOYSA-N
XLogP3.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile
CID 115129625
3-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
CID 69122479
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]propanenitrile
CID 115130444
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 91346922
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile (CID 115130451) is 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile is CC(C#N)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile?
The InChIKey is QMDNFAPEAKLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-8(7-14)15-5-4-9-2-3-10(12)11(13)6-9/h2-3,6,8,15H,4-5H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile?
2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile has a molecular weight of 243.14 g/mol, XLogP of 3.04, 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]propanenitrile is sourced from PubChem (CID 115130451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).