2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine

C14H23NO2S — CID 64654172

IUPAC2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CS(=O)C(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-4-9-17-13-7-5-12(6-8-13)14(15)10-18(16)11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyXJMWGXANXVHWER-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.63
Rot. Bonds7

About 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine

2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine (PubChem CID 64654172) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
PubChem CID64654172
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CS(=O)C(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-4-9-17-13-7-5-12(6-8-13)14(15)10-18(16)11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyXJMWGXANXVHWER-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)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-tert-butylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64651112
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759595
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
CID 64654570
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine (CID 64654172) is 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CS(=O)C(C)C)cc1.
What is the InChIKey of 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine?
The InChIKey is XJMWGXANXVHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-9-17-13-7-5-12(6-8-13)14(15)10-18(16)11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine?
2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64654172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).