1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine

C17H21BrFNS — CID 64769545

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H21BrFNS/c1-4-20-15(11-14-9-10-16(18)21-14)17(2,3)12-5-7-13(19)8-6-12/h5-10,15,20H,4,11H2,1-3H3
InChIKeyWYWOKAUBHGYKEO-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.15
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine

1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 64769545) has the molecular formula C17H21BrFNS and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
PubChem CID64769545
Molecular FormulaC17H21BrFNS
Molecular Weight370.33 g/mol
Exact Mass369.06
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H21BrFNS/c1-4-20-15(11-14-9-10-16(18)21-14)17(2,3)12-5-7-13(19)8-6-12/h5-10,15,20H,4,11H2,1-3H3
InChIKeyWYWOKAUBHGYKEO-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.15
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)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine (CID 64769545) is 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine is CCNC(Cc1ccc(Br)s1)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is WYWOKAUBHGYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNS/c1-4-20-15(11-14-9-10-16(18)21-14)17(2,3)12-5-7-13(19)8-6-12/h5-10,15,20H,4,11H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 370.33 g/mol, XLogP of 5.15, 6 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)-N-ethyl-3-(4-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 64769545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).