2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline

C13H12Br2N2 — CID 54952691

IUPAC2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
SMILESBrc1ccc(NCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H12Br2N2/c14-10-4-5-13(12(15)9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyZEALNXSOSJVSPT-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.26
Rot. Bonds4

About 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline

2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 54952691) has the molecular formula C13H12Br2N2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
PubChem CID54952691
Molecular FormulaC13H12Br2N2
Molecular Weight356.06 g/mol
Exact Mass353.94
IUPAC Name2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
SMILESBrc1ccc(NCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H12Br2N2/c14-10-4-5-13(12(15)9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyZEALNXSOSJVSPT-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
CID 60864182
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
4-[4-(dimethylamino)phenyl]-1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 146168027
2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864008
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline (CID 54952691) is 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline is Brc1ccc(NCCc2ccccn2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is ZEALNXSOSJVSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2/c14-10-4-5-13(12(15)9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2.
What are the key properties of 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline?
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 356.06 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 54952691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).