N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine

C16H20FNO2S — CID 104518881

IUPACN-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(F)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C16H20FNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyZLZNYZHYJIHJLM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine

N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 104518881) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
PubChem CID104518881
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC NameN-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(F)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C16H20FNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyZLZNYZHYJIHJLM-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine (CID 104518881) is N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine is CCNC(c1ccc(F)c2ccccc12)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is ZLZNYZHYJIHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).