N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine

C15H24FNO3S — CID 106722508

IUPACN-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1ccc(C(C)NCC)cc1F
InChIInChI=1S/C15H24FNO3S/c1-4-9-21(18,19)10-8-20-15-7-6-13(11-14(15)16)12(3)17-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyNNEGKXHDFAEZOX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.70
Rot. Bonds9

About N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine

N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106722508) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
PubChem CID106722508
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC NameN-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1ccc(C(C)NCC)cc1F
InChIInChI=1S/C15H24FNO3S/c1-4-9-21(18,19)10-8-20-15-7-6-13(11-14(15)16)12(3)17-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyNNEGKXHDFAEZOX-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190643
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
CID 64647101
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine (CID 106722508) is N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine is CCCS(=O)(=O)CCOc1ccc(C(C)NCC)cc1F.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is NNEGKXHDFAEZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-4-9-21(18,19)10-8-20-15-7-6-13(11-14(15)16)12(3)17-5-2/h6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 317.43 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106722508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).