1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

C15H25NO2S — CID 107759595

IUPAC1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCCOc1ccc(C(N)CS(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16)10-19(17)12(4)11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyLBAFEZBEGZARDQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.88
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (PubChem CID 107759595) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
PubChem CID107759595
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCCOc1ccc(C(N)CS(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16)10-19(17)12(4)11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyLBAFEZBEGZARDQ-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64654172
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
CID 64650785
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759587
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
2-tert-butylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64651112
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
amino-(4-ethoxyphenyl)methanol
CID 116939610

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (CID 107759595) is 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is CCOc1ccc(C(N)CS(=O)C(C)C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The InChIKey is LBAFEZBEGZARDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16)10-19(17)12(4)11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is sourced from PubChem (CID 107759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).