2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline

C14H11Br2Cl2N — CID 43736741

IUPAC2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Br2Cl2N/c1-8(9-2-5-12(17)13(18)6-9)19-14-7-10(15)3-4-11(14)16/h2-8,19H,1H3
InChIKeyMKDKKJQRWSSOLK-UHFFFAOYSA-N
MW423.96 g/mol
LogP6.69
Rot. Bonds3

About 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline

2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline (PubChem CID 43736741) has the molecular formula C14H11Br2Cl2N and a molecular weight of 423.96 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
PubChem CID43736741
Molecular FormulaC14H11Br2Cl2N
Molecular Weight423.96 g/mol
Exact Mass420.86
IUPAC Name2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Br2Cl2N/c1-8(9-2-5-12(17)13(18)6-9)19-14-7-10(15)3-4-11(14)16/h2-8,19H,1H3
InChIKeyMKDKKJQRWSSOLK-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.96
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
CID 43729562
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline (CID 43736741) is 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline is CC(Nc1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The InChIKey is MKDKKJQRWSSOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2N/c1-8(9-2-5-12(17)13(18)6-9)19-14-7-10(15)3-4-11(14)16/h2-8,19H,1H3.
What are the key properties of 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline has a molecular weight of 423.96 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 43736741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).