2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine

C16H16Br3N — CID 63508792

IUPAC2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyYBCIPPSSKXYOOS-UHFFFAOYSA-N
MW462.02 g/mol
LogP5.87
Rot. Bonds5

About 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine

2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine (PubChem CID 63508792) has the molecular formula C16H16Br3N and a molecular weight of 462.02 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
PubChem CID63508792
Molecular FormulaC16H16Br3N
Molecular Weight462.02 g/mol
Exact Mass458.88
IUPAC Name2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyYBCIPPSSKXYOOS-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
1-(2,5-dibromophenyl)-N-ethylbut-3-yn-1-amine
CID 114977656

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine (CID 63508792) is 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The InChIKey is YBCIPPSSKXYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine has a molecular weight of 462.02 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine is sourced from PubChem (CID 63508792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).