N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine

C14H23NS — CID 44613456

IUPACN-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine
SMILESCCNC(CC)Cc1ccc(SCC)cc1
InChIInChI=1S/C14H23NS/c1-4-13(15-5-2)11-12-7-9-14(10-8-12)16-6-3/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyFXAXBZLCZVSQJT-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine

N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine (PubChem CID 44613456) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine
PubChem CID44613456
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine
SMILESCCNC(CC)Cc1ccc(SCC)cc1
InChIInChI=1S/C14H23NS/c1-4-13(15-5-2)11-12-7-9-14(10-8-12)16-6-3/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyFXAXBZLCZVSQJT-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine (CID 44613456) is N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine is CCNC(CC)Cc1ccc(SCC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine?
The InChIKey is FXAXBZLCZVSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-13(15-5-2)11-12-7-9-14(10-8-12)16-6-3/h7-10,13,15H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine?
N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylsulfanylphenyl)butan-2-amine is sourced from PubChem (CID 44613456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).