2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine

C14H23NO4S — CID 64674550

IUPAC2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCCCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO4S/c1-4-5-8-20(16,17)10-13(15)12-9-11(18-2)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,15H2,1-3H3
InChIKeyBVZPVDWDECDVFA-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.92
Rot. Bonds8

About 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine

2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 64674550) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
PubChem CID64674550
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCCCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO4S/c1-4-5-8-20(16,17)10-13(15)12-9-11(18-2)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,15H2,1-3H3
InChIKeyBVZPVDWDECDVFA-UHFFFAOYSA-N
XLogP1.92
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)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

1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
CID 64647107
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758487
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759657
2-butylsulfonyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64675735
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine (CID 64674550) is 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine is CCCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC.
What is the InChIKey of 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is BVZPVDWDECDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-5-8-20(16,17)10-13(15)12-9-11(18-2)6-7-14(12)19-3/h6-7,9,13H,4-5,8,10,15H2,1-3H3.
What are the key properties of 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine?
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 64674550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).