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

C15H22FNOS — CID 66052896

IUPAC1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CSc1ccccc1F
InChIInChI=1S/C15H22FNOS/c1-17-12(8-9-13-5-4-10-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyFPKVZTVEBLAEBA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.46
Rot. Bonds7

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

1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 66052896) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID66052896
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CSc1ccccc1F
InChIInChI=1S/C15H22FNOS/c1-17-12(8-9-13-5-4-10-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyFPKVZTVEBLAEBA-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine (CID 66052896) is 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is FPKVZTVEBLAEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-17-12(8-9-13-5-4-10-18-13)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 283.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 66052896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).