2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine

C17H18BrClFN — CID 105015730

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)9-13)8-12-6-14(18)10-15(20)7-12/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyBSRJVHJNPFVXKY-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.44
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine

2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 105015730) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID105015730
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)9-13)8-12-6-14(18)10-15(20)7-12/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyBSRJVHJNPFVXKY-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105015717
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103406816
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (CID 105015730) is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is BSRJVHJNPFVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-21-17(13-5-4-11(2)16(19)9-13)8-12-6-14(18)10-15(20)7-12/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 370.69 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105015730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).