N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine

C16H26FNO2S — CID 64770135

IUPACN-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S/c1-5-18-15(7-6-12-21(4,19)20)16(2,3)13-8-10-14(17)11-9-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyYUHJPHORGLVOSS-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.91
Rot. Bonds8

About N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine

N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine (PubChem CID 64770135) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
PubChem CID64770135
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC NameN-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S/c1-5-18-15(7-6-12-21(4,19)20)16(2,3)13-8-10-14(17)11-9-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyYUHJPHORGLVOSS-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine (CID 64770135) is N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine is CCNC(CCCS(C)(=O)=O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine?
The InChIKey is YUHJPHORGLVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-5-18-15(7-6-12-21(4,19)20)16(2,3)13-8-10-14(17)11-9-13/h8-11,15,18H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine?
N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine has a molecular weight of 315.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 64770135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).