1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine

C16H17BrFNO — CID 63802588

IUPAC1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C16H17BrFNO/c1-2-14(19)10-11-9-13(18)5-8-16(11)20-15-6-3-12(17)4-7-15/h3-9,14H,2,10,19H2,1H3
InChIKeyAHFRPOSUUOBETF-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.66
Rot. Bonds5

About 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine

1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine (PubChem CID 63802588) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
PubChem CID63802588
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C16H17BrFNO/c1-2-14(19)10-11-9-13(18)5-8-16(11)20-15-6-3-12(17)4-7-15/h3-9,14H,2,10,19H2,1H3
InChIKeyAHFRPOSUUOBETF-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine (CID 63802588) is 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine?
The InChIKey is AHFRPOSUUOBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-14(19)10-11-9-13(18)5-8-16(11)20-15-6-3-12(17)4-7-15/h3-9,14H,2,10,19H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine?
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 63802588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).