2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine

C17H18BrClFN — CID 105037902

IUPAC2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1ccc(C)cc1F
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(14-7-4-11(2)8-16(14)20)9-12-5-6-13(18)10-15(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyQGGPMMGBEPNJJZ-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine

2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 105037902) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID105037902
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1ccc(C)cc1F
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(14-7-4-11(2)8-16(14)20)9-12-5-6-13(18)10-15(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyQGGPMMGBEPNJJZ-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-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine (CID 105037902) is 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine is CCNC(Cc1ccc(Br)cc1Cl)c1ccc(C)cc1F.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is QGGPMMGBEPNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-21-17(14-7-4-11(2)8-16(14)20)9-12-5-6-13(18)10-15(12)19/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine 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-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 105037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).