1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine

C16H16BrF2NO — CID 65202987

IUPAC1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-2-12(20)8-10-7-11(18)3-6-16(10)21-13-4-5-14(17)15(19)9-13/h3-7,9,12H,2,8,20H2,1H3
InChIKeyQQVSPVXCVIXOBA-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.80
Rot. Bonds5

About 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine

1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine (PubChem CID 65202987) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
PubChem CID65202987
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-2-12(20)8-10-7-11(18)3-6-16(10)21-13-4-5-14(17)15(19)9-13/h3-7,9,12H,2,8,20H2,1H3
InChIKeyQQVSPVXCVIXOBA-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
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-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
CID 170893583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine (CID 65202987) is 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The InChIKey is QQVSPVXCVIXOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-2-12(20)8-10-7-11(18)3-6-16(10)21-13-4-5-14(17)15(19)9-13/h3-7,9,12H,2,8,20H2,1H3.
What are the key properties of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 65202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).