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

C15H17BrFNS — CID 62602453

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-13(10-15-14(16)7-8-19-15)9-11-3-5-12(17)6-4-11/h3-8,13,18H,2,9-10H2,1H3
InChIKeyLAMLMGALGXCYMB-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.41
Rot. Bonds6

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

1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (PubChem CID 62602453) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
PubChem CID62602453
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-13(10-15-14(16)7-8-19-15)9-11-3-5-12(17)6-4-11/h3-8,13,18H,2,9-10H2,1H3
InChIKeyLAMLMGALGXCYMB-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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Related Compounds

1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66058825
3-bromo-2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]thiophene
CID 66035034
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075
1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (CID 62602453) is 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is LAMLMGALGXCYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-18-13(10-15-14(16)7-8-19-15)9-11-3-5-12(17)6-4-11/h3-8,13,18H,2,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
1-(3-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-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62602453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).