N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

C16H24F3NS — CID 105147842

IUPACN-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCc1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3NS/c1-2-20-15(8-3-12-9-10-21-11-12)13-4-6-14(7-5-13)16(17,18)19/h9-11,13-15,20H,2-8H2,1H3
InChIKeyKSPYVGYPEUDDKH-UHFFFAOYSA-N
MW319.44 g/mol
LogP5.03
Rot. Bonds6

About N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105147842) has the molecular formula C16H24F3NS and a molecular weight of 319.44 g/mol. Its IUPAC name is N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105147842
Molecular FormulaC16H24F3NS
Molecular Weight319.44 g/mol
Exact Mass319.16
IUPAC NameN-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCNC(CCc1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3NS/c1-2-20-15(8-3-12-9-10-21-11-12)13-4-6-14(7-5-13)16(17,18)19/h9-11,13-15,20H,2-8H2,1H3
InChIKeyKSPYVGYPEUDDKH-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(3-ethylcyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 65411999
N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
CID 79069127
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105147842) is N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is CCNC(CCc1ccsc1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is KSPYVGYPEUDDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NS/c1-2-20-15(8-3-12-9-10-21-11-12)13-4-6-14(7-5-13)16(17,18)19/h9-11,13-15,20H,2-8H2,1H3.
What are the key properties of N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 319.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105147842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).