N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine

C15H24FNO3S — CID 81301655

IUPACN-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1ccc(OC)cc1F
InChIInChI=1S/C15H24FNO3S/c1-4-17-15(7-6-10-21(18,19)5-2)13-9-8-12(20-3)11-14(13)16/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyNWDQCMJGERQNRP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.70
Rot. Bonds9

About N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine

N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine (PubChem CID 81301655) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
PubChem CID81301655
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC NameN-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1ccc(OC)cc1F
InChIInChI=1S/C15H24FNO3S/c1-4-17-15(7-6-10-21(18,19)5-2)13-9-8-12(20-3)11-14(13)16/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyNWDQCMJGERQNRP-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

3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
4-[2-(ethylamino)-2-(2-fluoro-4-methoxyphenyl)ethyl]phenol
CID 81301341
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine (CID 81301655) is N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine is CCNC(CCCS(=O)(=O)CC)c1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The InChIKey is NWDQCMJGERQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-4-17-15(7-6-10-21(18,19)5-2)13-9-8-12(20-3)11-14(13)16/h8-9,11,15,17H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine?
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine 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-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 81301655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).