1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine

C16H19BrFNS — CID 64767975

IUPAC1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H19BrFNS/c1-16(2,11-4-6-12(18)7-5-11)14(19-3)10-13-8-9-15(17)20-13/h4-9,14,19H,10H2,1-3H3
InChIKeyHLNDLZHDZYHMJS-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.76
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine

1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine (PubChem CID 64767975) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
PubChem CID64767975
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H19BrFNS/c1-16(2,11-4-6-12(18)7-5-11)14(19-3)10-13-8-9-15(17)20-13/h4-9,14,19H,10H2,1-3H3
InChIKeyHLNDLZHDZYHMJS-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine (CID 64767975) is 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine is CNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is HLNDLZHDZYHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-16(2,11-4-6-12(18)7-5-11)14(19-3)10-13-8-9-15(17)20-13/h4-9,14,19H,10H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 64767975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).