N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine

C16H24FNOS — CID 66052527

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSc1ccccc1F
InChIInChI=1S/C16H24FNOS/c1-2-18-13(9-10-14-6-5-11-19-14)12-20-16-8-4-3-7-15(16)17/h3-4,7-8,13-14,18H,2,5-6,9-12H2,1H3
InChIKeyIAQRFXNRTHAYLQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.86
Rot. Bonds8

About N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 66052527) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID66052527
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSc1ccccc1F
InChIInChI=1S/C16H24FNOS/c1-2-18-13(9-10-14-6-5-11-19-14)12-20-16-8-4-3-7-15(16)17/h3-4,7-8,13-14,18H,2,5-6,9-12H2,1H3
InChIKeyIAQRFXNRTHAYLQ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine (CID 66052527) is N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)CSc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is IAQRFXNRTHAYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-2-18-13(9-10-14-6-5-11-19-14)12-20-16-8-4-3-7-15(16)17/h3-4,7-8,13-14,18H,2,5-6,9-12H2,1H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 66052527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).