N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine

C15H14F3NS — CID 43287376

IUPACN-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(-c2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)11-3-1-2-10(8-11)14-7-6-13(20-14)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2
InChIKeyZKXDXOHFUXEDET-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.69
Rot. Bonds4

About N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 43287376) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID43287376
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(-c2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)11-3-1-2-10(8-11)14-7-6-13(20-14)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2
InChIKeyZKXDXOHFUXEDET-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 64855510
N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287171
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43275244
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
N-[[5-[3-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623438
N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287136
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 17159461

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine (CID 43287376) is N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine is FC(F)(F)c1cccc(-c2ccc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is ZKXDXOHFUXEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-15(17,18)11-3-1-2-10(8-11)14-7-6-13(20-14)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2.
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 297.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43287376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).