N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine

C14H20FNOS — CID 66052325

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNOS/c1-2-16-13(11-7-8-17-9-11)10-18-14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyZLQPRBGAONNATQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 66052325) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID66052325
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNOS/c1-2-16-13(11-7-8-17-9-11)10-18-14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyZLQPRBGAONNATQ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 66052325) is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine is CCNC(CSc1ccccc1F)C1CCOC1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is ZLQPRBGAONNATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-16-13(11-7-8-17-9-11)10-18-14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 269.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 66052325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).