2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine

C16H15BrCl2FN — CID 115818794

IUPAC2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(11-4-3-5-13(18)16(11)19)9-10-6-7-14(20)12(17)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyFKSPLZMWPODOKZ-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.79
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine

2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 115818794) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID115818794
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(11-4-3-5-13(18)16(11)19)9-10-6-7-14(20)12(17)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyFKSPLZMWPODOKZ-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

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 107968020
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine (CID 115818794) is 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is FKSPLZMWPODOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-21-15(11-4-3-5-13(18)16(11)19)9-10-6-7-14(20)12(17)8-10/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(2,3-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 2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115818794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).