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

C15H17BrFNS — CID 62602266

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H17BrFNS/c1-2-18-14(9-15-8-12(16)10-19-15)7-11-3-5-13(17)6-4-11/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyVDWHEBULEYNCQG-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.41
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (PubChem CID 62602266) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
PubChem CID62602266
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H17BrFNS/c1-2-18-14(9-15-8-12(16)10-19-15)7-11-3-5-13(17)6-4-11/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyVDWHEBULEYNCQG-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (CID 62602266) is 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is VDWHEBULEYNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-18-14(9-15-8-12(16)10-19-15)7-11-3-5-13(17)6-4-11/h3-6,8,10,14,18H,2,7,9H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62602266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).