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

C17H18BrClFN — CID 103053128

IUPAC1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(12-4-6-15(18)11(2)8-12)10-13-9-14(19)5-7-16(13)20/h4-9,17,21H,3,10H2,1-2H3
InChIKeySXICIXWOBRZYNZ-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.44
Rot. Bonds5

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

1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine (PubChem CID 103053128) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
PubChem CID103053128
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(12-4-6-15(18)11(2)8-12)10-13-9-14(19)5-7-16(13)20/h4-9,17,21H,3,10H2,1-2H3
InChIKeySXICIXWOBRZYNZ-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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 103052866
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine (CID 103053128) is 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is SXICIXWOBRZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-21-17(12-4-6-15(18)11(2)8-12)10-13-9-14(19)5-7-16(13)20/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-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 1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 103053128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).