1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine

C15H14BrClFNO — CID 114862732

IUPAC1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-9(19)6-10-7-11(17)2-4-14(10)20-15-5-3-12(18)8-13(15)16/h2-5,7-9H,6,19H2,1H3
InChIKeyBWXHTFIRRJEAHJ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.92
Rot. Bonds4

About 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine

1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine (PubChem CID 114862732) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
PubChem CID114862732
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-9(19)6-10-7-11(17)2-4-14(10)20-15-5-3-12(18)8-13(15)16/h2-5,7-9H,6,19H2,1H3
InChIKeyBWXHTFIRRJEAHJ-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine (CID 114862732) is 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1Oc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine?
The InChIKey is BWXHTFIRRJEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)6-10-7-11(17)2-4-14(10)20-15-5-3-12(18)8-13(15)16/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine?
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine has a molecular weight of 358.64 g/mol, XLogP of 4.92, 4 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-fluorophenoxy)-5-chlorophenyl]propan-2-amine is sourced from PubChem (CID 114862732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).