[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine

C12H16FNS — CID 84790406

IUPAC[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
SMILESNCC1(CCSc2ccccc2F)CC1
InChIInChI=1S/C12H16FNS/c13-10-3-1-2-4-11(10)15-8-7-12(9-14)5-6-12/h1-4H,5-9,14H2
InChIKeyYXRMDOVQNCJKJW-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.05
Rot. Bonds5

About [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine

[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine (PubChem CID 84790406) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
PubChem CID84790406
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
SMILESNCC1(CCSc2ccccc2F)CC1
InChIInChI=1S/C12H16FNS/c13-10-3-1-2-4-11(10)15-8-7-12(9-14)5-6-12/h1-4H,5-9,14H2
InChIKeyYXRMDOVQNCJKJW-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine (CID 84790406) is [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine is NCC1(CCSc2ccccc2F)CC1.
What is the InChIKey of [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The InChIKey is YXRMDOVQNCJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-10-3-1-2-4-11(10)15-8-7-12(9-14)5-6-12/h1-4H,5-9,14H2.
What are the key properties of [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine?
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine is sourced from PubChem (CID 84790406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).