N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine

C15H25NS — CID 113350300

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-6-14(10-17-5)16-13(4)15-9-11(2)7-8-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyYORXSDXVAQNVHR-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.10
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine

N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine (PubChem CID 113350300) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
PubChem CID113350300
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-6-14(10-17-5)16-13(4)15-9-11(2)7-8-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyYORXSDXVAQNVHR-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983887
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113494561
N-[1-(2,4-dimethylphenyl)ethyl]hex-5-yn-3-amine
CID 113262096
1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167967
N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63463078
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine (CID 113350300) is N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NC(C)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is YORXSDXVAQNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-6-14(10-17-5)16-13(4)15-9-11(2)7-8-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 113350300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).