2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine

C16H16BrF2N — CID 63413364

IUPAC2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyWZPSMJSWLFKDCX-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine

2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 63413364) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID63413364
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyWZPSMJSWLFKDCX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine (CID 63413364) is 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is WZPSMJSWLFKDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(18)6-7-15(14)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63413364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).