2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine

C17H19BrFNO — CID 115818655

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccc(F)c(Br)c2)NC)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-21-14-7-5-13(6-8-14)17(20-2)11-12-4-9-16(19)15(18)10-12/h4-10,17,20H,3,11H2,1-2H3
InChIKeyCZOKIYSWIFLCEZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine

2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 115818655) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID115818655
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccc(F)c(Br)c2)NC)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-21-14-7-5-13(6-8-14)17(20-2)11-12-4-9-16(19)15(18)10-12/h4-10,17,20H,3,11H2,1-2H3
InChIKeyCZOKIYSWIFLCEZ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 82916536
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 105020535
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (CID 115818655) is 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(Cc2ccc(F)c(Br)c2)NC)cc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is CZOKIYSWIFLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-21-14-7-5-13(6-8-14)17(20-2)11-12-4-9-16(19)15(18)10-12/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115818655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).