N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine

C15H15BrF3NS — CID 106042970

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCCc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C15H15BrF3NS/c16-14-7-6-12(21-14)8-9-20-13(10-15(17,18)19)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2
InChIKeyICVMUATYZAYOCB-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.34
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine (PubChem CID 106042970) has the molecular formula C15H15BrF3NS and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
PubChem CID106042970
Molecular FormulaC15H15BrF3NS
Molecular Weight378.26 g/mol
Exact Mass377.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCCc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C15H15BrF3NS/c16-14-7-6-12(21-14)8-9-20-13(10-15(17,18)19)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2
InChIKeyICVMUATYZAYOCB-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
2-Bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447170
2-bromo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156009947
2-bromo-N-(4-phenylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156018376
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
2-(4-Bromophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062009
2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
2-Thenylamine, alpha-(m-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062016
N-Ethyl-2-(4-fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062020

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine (CID 106042970) is N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine is FC(F)(F)CC(NCCc1ccc(Br)s1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The InChIKey is ICVMUATYZAYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3NS/c16-14-7-6-12(21-14)8-9-20-13(10-15(17,18)19)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine has a molecular weight of 378.26 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine is sourced from PubChem (CID 106042970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).