2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine

C11H11Cl4N — CID 79167721

IUPAC2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4N/c1-7(16-6-9(14)5-12)10-3-2-8(13)4-11(10)15/h2-5,7,16H,6H2,1H3
InChIKeyVYXUNPUUKAMRAL-UHFFFAOYSA-N
MW299.03 g/mol
LogP4.96
Rot. Bonds4

About 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine

2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 79167721) has the molecular formula C11H11Cl4N and a molecular weight of 299.03 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
PubChem CID79167721
Molecular FormulaC11H11Cl4N
Molecular Weight299.03 g/mol
Exact Mass296.96
IUPAC Name2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4N/c1-7(16-6-9(14)5-12)10-3-2-8(13)4-11(10)15/h2-5,7,16H,6H2,1H3
InChIKeyVYXUNPUUKAMRAL-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
N-[1-(2,4-dichlorophenyl)ethyl]pent-3-yn-1-amine
CID 104756778
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine (CID 79167721) is 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine is CC(NCC(Cl)=CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is VYXUNPUUKAMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4N/c1-7(16-6-9(14)5-12)10-3-2-8(13)4-11(10)15/h2-5,7,16H,6H2,1H3.
What are the key properties of 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine?
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 299.03 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 79167721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).