1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine

C15H25NO4S — CID 107759657

IUPAC1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-11(2)9-21(17,18)10-14(16)13-7-6-12(19-3)8-15(13)20-4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyZAUIYSJNHMMAEO-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine

1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107759657) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107759657
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-11(2)9-21(17,18)10-14(16)13-7-6-12(19-3)8-15(13)20-4/h6-8,11,14H,5,9-10,16H2,1-4H3
InChIKeyZAUIYSJNHMMAEO-UHFFFAOYSA-N
XLogP2.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 64646885
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 43269486

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine (CID 107759657) is 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine is CCC(C)CS(=O)(=O)CC(N)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is ZAUIYSJNHMMAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-11(2)9-21(17,18)10-14(16)13-7-6-12(19-3)8-15(13)20-4/h6-8,11,14H,5,9-10,16H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 315.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107759657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).