1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine

C14H15BrFNOS — CID 102980448

IUPAC1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
SMILESCc1ccc(F)cc1OC(c1cc(Br)cs1)C(C)N
InChIInChI=1S/C14H15BrFNOS/c1-8-3-4-11(16)6-12(8)18-14(9(2)17)13-5-10(15)7-19-13/h3-7,9,14H,17H2,1-2H3
InChIKeyXZQSSUBITVAKPW-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine

1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine (PubChem CID 102980448) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
PubChem CID102980448
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC Name1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
SMILESCc1ccc(F)cc1OC(c1cc(Br)cs1)C(C)N
InChIInChI=1S/C14H15BrFNOS/c1-8-3-4-11(16)6-12(8)18-14(9(2)17)13-5-10(15)7-19-13/h3-7,9,14H,17H2,1-2H3
InChIKeyXZQSSUBITVAKPW-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107283434
1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 102980600
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine
CID 107313258
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine (CID 102980448) is 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine is Cc1ccc(F)cc1OC(c1cc(Br)cs1)C(C)N.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The InChIKey is XZQSSUBITVAKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-8-3-4-11(16)6-12(8)18-14(9(2)17)13-5-10(15)7-19-13/h3-7,9,14H,17H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine has a molecular weight of 344.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine is sourced from PubChem (CID 102980448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).