N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine

C14H13F2NS — CID 43287171

IUPACN-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(-c2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C14H13F2NS/c15-10-5-9(6-11(16)7-10)14-4-3-13(18-14)8-17-12-1-2-12/h3-7,12,17H,1-2,8H2
InChIKeyYKPOCXULDWRFMA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.95
Rot. Bonds4

About N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 43287171) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID43287171
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC NameN-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(-c2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C14H13F2NS/c15-10-5-9(6-11(16)7-10)14-4-3-13(18-14)8-17-12-1-2-12/h3-7,12,17H,1-2,8H2
InChIKeyYKPOCXULDWRFMA-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43275244
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 64855510
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 107368901
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559009
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287136

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine (CID 43287171) is N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine is Fc1cc(F)cc(-c2ccc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is YKPOCXULDWRFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-10-5-9(6-11(16)7-10)14-4-3-13(18-14)8-17-12-1-2-12/h3-7,12,17H,1-2,8H2.
What are the key properties of N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 265.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43287171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).