N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine

C17H19BrFNO — CID 114673781

IUPACN-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-10-20-12(2)14-6-4-5-7-16(14)21-17-11-13(18)8-9-15(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyRNPXLPTVQBWGEA-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.44
Rot. Bonds6

About N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 114673781) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID114673781
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-10-20-12(2)14-6-4-5-7-16(14)21-17-11-13(18)8-9-15(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyRNPXLPTVQBWGEA-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-phenoxyphenyl)ethyl]propan-1-amine
CID 82975716
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
CID 102947867
1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 114673781) is N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Oc1cc(Br)ccc1F.
What is the InChIKey of N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is RNPXLPTVQBWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-10-20-12(2)14-6-4-5-7-16(14)21-17-11-13(18)8-9-15(17)19/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 352.25 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 114673781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).