N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine

C17H18FNS — CID 79340416

IUPACN-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1
InChIInChI=1S/C17H18FNS/c1-12(11-19-13-6-7-13)10-14-8-9-17(20-14)15-4-2-3-5-16(15)18/h2-5,8-10,13,19H,6-7,11H2,1H3
InChIKeyARWFDGTZFIUVOG-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.71
Rot. Bonds5

About N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine

N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79340416) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79340416
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC NameN-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1
InChIInChI=1S/C17H18FNS/c1-12(11-19-13-6-7-13)10-14-8-9-17(20-14)15-4-2-3-5-16(15)18/h2-5,8-10,13,19H,6-7,11H2,1H3
InChIKeyARWFDGTZFIUVOG-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine (CID 79340416) is N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine is CC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1.
What is the InChIKey of N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is ARWFDGTZFIUVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-12(11-19-13-6-7-13)10-14-8-9-17(20-14)15-4-2-3-5-16(15)18/h2-5,8-10,13,19H,6-7,11H2,1H3.
What are the key properties of N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine?
N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 287.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).