1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine

C15H25NO2S — CID 176553691

IUPAC1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
SMILESCCOc1cc(SC)c(OCC)cc1CC(N)CC
InChIInChI=1S/C15H25NO2S/c1-5-12(16)8-11-9-14(18-7-3)15(19-4)10-13(11)17-6-2/h9-10,12H,5-8,16H2,1-4H3
InChIKeyGFYJQBAJJDXZCX-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.49
Rot. Bonds8

About 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine

1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine (PubChem CID 176553691) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
PubChem CID176553691
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
SMILESCCOc1cc(SC)c(OCC)cc1CC(N)CC
InChIInChI=1S/C15H25NO2S/c1-5-12(16)8-11-9-14(18-7-3)15(19-4)10-13(11)17-6-2/h9-10,12H,5-8,16H2,1-4H3
InChIKeyGFYJQBAJJDXZCX-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-[4-(1,1-difluoroethyl)-5-ethoxy-2-methoxyphenyl]butan-2-amine
CID 167243727
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine?
The IUPAC name of 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine (CID 176553691) is 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine is CCOc1cc(SC)c(OCC)cc1CC(N)CC.
What is the InChIKey of 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine?
The InChIKey is GFYJQBAJJDXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12(16)8-11-9-14(18-7-3)15(19-4)10-13(11)17-6-2/h9-10,12H,5-8,16H2,1-4H3.
What are the key properties of 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine?
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine is sourced from PubChem (CID 176553691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).