1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine

C12H18F3NOS — CID 54961663

IUPAC1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NOS/c1-10(7-11-3-6-18-8-11)16-4-2-5-17-9-12(13,14)15/h3,6,8,10,16H,2,4-5,7,9H2,1H3
InChIKeyRLJFFAVMWQWHBI-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.24
Rot. Bonds8

About 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine

1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine (PubChem CID 54961663) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
PubChem CID54961663
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Name1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NOS/c1-10(7-11-3-6-18-8-11)16-4-2-5-17-9-12(13,14)15/h3,6,8,10,16H,2,4-5,7,9H2,1H3
InChIKeyRLJFFAVMWQWHBI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 84589401
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
1-hexoxy-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61222794
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
CID 75427876
1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 54964719
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine (CID 54961663) is 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine is CC(Cc1ccsc1)NCCCOCC(F)(F)F.
What is the InChIKey of 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The InChIKey is RLJFFAVMWQWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-10(7-11-3-6-18-8-11)16-4-2-5-17-9-12(13,14)15/h3,6,8,10,16H,2,4-5,7,9H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine has a molecular weight of 281.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine is sourced from PubChem (CID 54961663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).