1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C10H13BrF3NS — CID 61104564

IUPAC1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyGTSZUVDKUMPRDI-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.50
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 61104564) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID61104564
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyGTSZUVDKUMPRDI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
1-(5-Bromothiophen-2-yl)ethan-1-amine
CID 4359396
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
(1R)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412140
(1S)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412141
1-(5-Bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 135377536
2-Bromo-6-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447171
2-(4-Bromothiophen-2-yl)pyrrolidine hydrochloride
CID 17389804
N-[(5-methylthiophen-2-yl)methyl]cycloheptanamine
CID 4720467
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 70458590
1-[(4-Bromo-5-ethylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 70803730

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 61104564) is 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is GTSZUVDKUMPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 4.50, 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)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 61104564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).