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

C17H19BrFNO — CID 105020535

IUPAC2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cccc(F)c2Br)NC)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(19)17(13)18/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBPAOPRXDWLOGKU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds6

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

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 105020535) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID105020535
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cccc(F)c2Br)NC)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(19)17(13)18/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBPAOPRXDWLOGKU-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-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115818655
[2-(2-bromo-3-fluorophenyl)-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105260715
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (CID 105020535) is 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(Cc2cccc(F)c2Br)NC)cc1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is BPAOPRXDWLOGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(19)17(13)18/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
2-(2-bromo-3-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-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105020535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).