1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine

C17H19BrFNO — CID 107726942

IUPAC1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2CC(C)N)cc(C)c1Br
InChIInChI=1S/C17H19BrFNO/c1-10-6-15(7-11(2)17(10)18)21-16-5-4-14(19)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3
InChIKeySCJPTXVTCAUOJW-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.89
Rot. Bonds4

About 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine

1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine (PubChem CID 107726942) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
PubChem CID107726942
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2CC(C)N)cc(C)c1Br
InChIInChI=1S/C17H19BrFNO/c1-10-6-15(7-11(2)17(10)18)21-16-5-4-14(19)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3
InChIKeySCJPTXVTCAUOJW-UHFFFAOYSA-N
XLogP4.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine (CID 107726942) is 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine is Cc1cc(Oc2ccc(F)cc2CC(C)N)cc(C)c1Br.
What is the InChIKey of 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine?
The InChIKey is SCJPTXVTCAUOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-10-6-15(7-11(2)17(10)18)21-16-5-4-14(19)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine?
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107726942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).