1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C16H15BrCl2FN — CID 115830230

IUPAC1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-16(11-7-6-10(20)8-13(11)17)9-12-14(18)4-3-5-15(12)19/h3-8,16,21H,2,9H2,1H3
InChIKeyBJDHZBDERCQBBF-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.79
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 115830230) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID115830230
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-16(11-7-6-10(20)8-13(11)17)9-12-14(18)4-3-5-15(12)19/h3-8,16,21H,2,9H2,1H3
InChIKeyBJDHZBDERCQBBF-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-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

1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(2-bromo-4-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 115814229
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 115830230) is 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is BJDHZBDERCQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-21-16(11-7-6-10(20)8-13(11)17)9-12-14(18)4-3-5-15(12)19/h3-8,16,21H,2,9H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 391.11 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115830230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).