[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine

C15H25NO4S — CID 106721561

IUPAC[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO4S/c1-5-19-14-10-12(11-16)6-7-13(14)20-8-9-21(17,18)15(2,3)4/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyOLBQHJJUTZITNJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.14
Rot. Bonds7

About [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine

[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine (PubChem CID 106721561) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
PubChem CID106721561
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO4S/c1-5-19-14-10-12(11-16)6-7-13(14)20-8-9-21(17,18)15(2,3)4/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyOLBQHJJUTZITNJ-UHFFFAOYSA-N
XLogP2.14
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine 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-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 106722034
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
1-(2-tert-butylsulfonylethoxy)-2-chloro-4-(chloromethyl)benzene
CID 106726569
[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
CID 107690715
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486238
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine?
The IUPAC name of [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine (CID 106721561) is [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine?
The canonical SMILES for [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine is CCOc1cc(CN)ccc1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine?
The InChIKey is OLBQHJJUTZITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-19-14-10-12(11-16)6-7-13(14)20-8-9-21(17,18)15(2,3)4/h6-7,10H,5,8-9,11,16H2,1-4H3.
What are the key properties of [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine?
[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine has a molecular weight of 315.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 106721561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).