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

C15H24FNS — CID 82923342

IUPAC4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCCC(CC)CC(CSc1cccc(F)c1)NC
InChIInChI=1S/C15H24FNS/c1-4-12(5-2)9-14(17-3)11-18-15-8-6-7-13(16)10-15/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyBTUVPDYVKNOCJB-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.33
Rot. Bonds8

About 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine

4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (PubChem CID 82923342) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
PubChem CID82923342
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCCC(CC)CC(CSc1cccc(F)c1)NC
InChIInChI=1S/C15H24FNS/c1-4-12(5-2)9-14(17-3)11-18-15-8-6-7-13(16)10-15/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyBTUVPDYVKNOCJB-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The IUPAC name of 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (CID 82923342) is 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.
What is the SMILES notation for 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The canonical SMILES for 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is CCC(CC)CC(CSc1cccc(F)c1)NC.
What is the InChIKey of 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The InChIKey is BTUVPDYVKNOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-4-12(5-2)9-14(17-3)11-18-15-8-6-7-13(16)10-15/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3.
What are the key properties of 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is sourced from PubChem (CID 82923342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).