N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine

C13H21NS — CID 114982360

IUPACN-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine
SMILESCCCC(NCC)c1ccc(SC)cc1
InChIInChI=1S/C13H21NS/c1-4-6-13(14-5-2)11-7-9-12(15-3)10-8-11/h7-10,13-14H,4-6H2,1-3H3
InChIKeyQZHGKILXHBWCTG-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.86
Rot. Bonds6

About N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine

N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine (PubChem CID 114982360) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine
PubChem CID114982360
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine
SMILESCCCC(NCC)c1ccc(SC)cc1
InChIInChI=1S/C13H21NS/c1-4-6-13(14-5-2)11-7-9-12(15-3)10-8-11/h7-10,13-14H,4-6H2,1-3H3
InChIKeyQZHGKILXHBWCTG-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
3-methylidene-1-(4-methylsulfanylphenyl)-N-propylpentan-1-amine
CID 105005861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine (CID 114982360) is N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine is CCCC(NCC)c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine?
The InChIKey is QZHGKILXHBWCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-6-13(14-5-2)11-7-9-12(15-3)10-8-11/h7-10,13-14H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine?
N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine is sourced from PubChem (CID 114982360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).