1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine

C12H17BrFNO — CID 105008200

IUPAC1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeySGWCFAUTGRWXNR-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine

1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105008200) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105008200
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeySGWCFAUTGRWXNR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(3-chloro-4-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 79575550
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 82810035
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008231
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine (CID 105008200) is 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is SGWCFAUTGRWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 290.18 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105008200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).