N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine

C13H16F3NS — CID 114749061

IUPACN-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCc2c(CNC3CC3)csc2C1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)9-1-4-11-8(6-17-10-2-3-10)7-18-12(11)5-9/h7,9-10,17H,1-6H2
InChIKeyZHZMKSTUIZIDIF-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.67
Rot. Bonds3

About N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine

N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine (PubChem CID 114749061) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine
PubChem CID114749061
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCc2c(CNC3CC3)csc2C1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)9-1-4-11-8(6-17-10-2-3-10)7-18-12(11)5-9/h7,9-10,17H,1-6H2
InChIKeyZHZMKSTUIZIDIF-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine
CID 114749017
N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine
CID 114749012
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755679
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl chloride
CID 82341869
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 82025662
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 114748818
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
CID 42586921
(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
CID 53275703
N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 79969876
3-[(cyclopropylamino)methyl]-1-benzothiophene-6-carboxylic acid
CID 117178191
N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
CID 114749047
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65246388

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine (CID 114749061) is N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine is FC(F)(F)C1CCc2c(CNC3CC3)csc2C1.
What is the InChIKey of N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine?
The InChIKey is ZHZMKSTUIZIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)9-1-4-11-8(6-17-10-2-3-10)7-18-12(11)5-9/h7,9-10,17H,1-6H2.
What are the key properties of N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine?
N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine has a molecular weight of 275.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114749061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).