N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine

C16H26FNS — CID 82923437

IUPACN,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
SMILESCCNC(CSc1cccc(F)c1)CC(CC)CC
InChIInChI=1S/C16H26FNS/c1-4-13(5-2)10-15(18-6-3)12-19-16-9-7-8-14(17)11-16/h7-9,11,13,15,18H,4-6,10,12H2,1-3H3
InChIKeyIEBGUHPTLFIRCY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.72
Rot. Bonds9

About N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine

N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine (PubChem CID 82923437) has the molecular formula C16H26FNS and a molecular weight of 283.46 g/mol. Its IUPAC name is N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
PubChem CID82923437
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC NameN,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
SMILESCCNC(CSc1cccc(F)c1)CC(CC)CC
InChIInChI=1S/C16H26FNS/c1-4-13(5-2)10-15(18-6-3)12-19-16-9-7-8-14(17)11-16/h7-9,11,13,15,18H,4-6,10,12H2,1-3H3
InChIKeyIEBGUHPTLFIRCY-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine?
The IUPAC name of N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine (CID 82923437) is N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine.
What is the SMILES notation for N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine?
The canonical SMILES for N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine is CCNC(CSc1cccc(F)c1)CC(CC)CC.
What is the InChIKey of N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine?
The InChIKey is IEBGUHPTLFIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-4-13(5-2)10-15(18-6-3)12-19-16-9-7-8-14(17)11-16/h7-9,11,13,15,18H,4-6,10,12H2,1-3H3.
What are the key properties of N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine?
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine is sourced from PubChem (CID 82923437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).