1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine

C17H19BrFNO — CID 63499357

IUPAC1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-20-12(2)15-6-4-5-7-17(15)21-11-13-8-9-14(19)10-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyZBAPWFZFMBOODU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.84
Rot. Bonds6

About 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine

1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 63499357) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
PubChem CID63499357
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-20-12(2)15-6-4-5-7-17(15)21-11-13-8-9-14(19)10-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyZBAPWFZFMBOODU-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine (CID 63499357) is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1OCc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is ZBAPWFZFMBOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-20-12(2)15-6-4-5-7-17(15)21-11-13-8-9-14(19)10-16(13)18/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 63499357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).