1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine

C17H19BrFNO — CID 79697854

IUPAC1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-20-12(2)14-4-6-17(7-5-14)21-11-13-8-15(18)10-16(19)9-13/h4-10,12,20H,3,11H2,1-2H3
InChIKeyNBVKKZKVHSSXNZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.84
Rot. Bonds6

About 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine

1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 79697854) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
PubChem CID79697854
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H19BrFNO/c1-3-20-12(2)14-4-6-17(7-5-14)21-11-13-8-15(18)10-16(19)9-13/h4-10,12,20H,3,11H2,1-2H3
InChIKeyNBVKKZKVHSSXNZ-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

1-[4-[(3-bromo-5-fluorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 79697398
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
CID 79698405
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine (CID 79697854) is 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is NBVKKZKVHSSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-20-12(2)14-4-6-17(7-5-14)21-11-13-8-15(18)10-16(19)9-13/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine?
1-[4-[(3-bromo-5-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-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 79697854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).