1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine

C15H25NO4S — CID 106728370

IUPAC1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-13(9-12(3)16)5-6-14(15)19-4/h5-6,10-12H,7-9,16H2,1-4H3
InChIKeyQQQCSJOQCYCIHV-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds8

About 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine

1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 106728370) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID106728370
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-13(9-12(3)16)5-6-14(15)19-4/h5-6,10-12H,7-9,16H2,1-4H3
InChIKeyQQQCSJOQCYCIHV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-3-propan-2-ylsulfonylpropan-2-amine;hydrochloride
CID 139726345
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-[3-fluoro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 107693431
1-[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 106728395
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 63774071
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine (CID 106728370) is 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is QQQCSJOQCYCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-13(9-12(3)16)5-6-14(15)19-4/h5-6,10-12H,7-9,16H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106728370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).