N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine

C16H27NO3S — CID 64656011

IUPACN-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3S/c1-6-9-17-15(11-21(18)12(2)3)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3
InChIKeyBTZWYFUWZCYAQH-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.90
Rot. Bonds9

About N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine

N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine (PubChem CID 64656011) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
PubChem CID64656011
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3S/c1-6-9-17-15(11-21(18)12(2)3)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3
InChIKeyBTZWYFUWZCYAQH-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine 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

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
CID 64651646
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine (CID 64656011) is N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine is CCCNC(CS(=O)C(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The InChIKey is BTZWYFUWZCYAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-6-9-17-15(11-21(18)12(2)3)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine has a molecular weight of 313.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine is sourced from PubChem (CID 64656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).