1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine

C15H25NO3S — CID 107760214

IUPAC1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine
SMILESCCOc1ccccc1C(N)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C15H25NO3S/c1-4-19-15-8-6-5-7-13(15)14(16)11-20(17,18)10-9-12(2)3/h5-8,12,14H,4,9-11,16H2,1-3H3
InChIKeyLIOABZIAGHYYPG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.55
Rot. Bonds8

About 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine

1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine (PubChem CID 107760214) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine
PubChem CID107760214
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine
SMILESCCOc1ccccc1C(N)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C15H25NO3S/c1-4-19-15-8-6-5-7-13(15)14(16)11-20(17,18)10-9-12(2)3/h5-8,12,14H,4,9-11,16H2,1-3H3
InChIKeyLIOABZIAGHYYPG-UHFFFAOYSA-N
XLogP2.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
CID 106721929
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
CID 171261737
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine
CID 64646024
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine (CID 107760214) is 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine is CCOc1ccccc1C(N)CS(=O)(=O)CCC(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine?
The InChIKey is LIOABZIAGHYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-19-15-8-6-5-7-13(15)14(16)11-20(17,18)10-9-12(2)3/h5-8,12,14H,4,9-11,16H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine?
1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107760214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).