1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine

C13H20FNS — CID 66070424

IUPAC1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCCCCC(CSc1cccc(F)c1)NC
InChIInChI=1S/C13H20FNS/c1-3-4-7-12(15-2)10-16-13-8-5-6-11(14)9-13/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3
InChIKeyFPSWUUWQRSMKOK-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.70
Rot. Bonds7

About 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine

1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (PubChem CID 66070424) has the molecular formula C13H20FNS and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
PubChem CID66070424
Molecular FormulaC13H20FNS
Molecular Weight241.38 g/mol
Exact Mass241.13
IUPAC Name1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCCCCC(CSc1cccc(F)c1)NC
InChIInChI=1S/C13H20FNS/c1-3-4-7-12(15-2)10-16-13-8-5-6-11(14)9-13/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3
InChIKeyFPSWUUWQRSMKOK-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (CID 66070424) is 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is CCCCC(CSc1cccc(F)c1)NC.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The InChIKey is FPSWUUWQRSMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-3-4-7-12(15-2)10-16-13-8-5-6-11(14)9-13/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine has a molecular weight of 241.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is sourced from PubChem (CID 66070424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).