1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine

C14H23NO3S — CID 63197601

IUPAC1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-4-9-15-13(11-18-2)10-12-5-7-14(8-6-12)19(3,16)17/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyRQWVOQFKGSRUDT-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.65
Rot. Bonds8

About 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine

1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine (PubChem CID 63197601) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
PubChem CID63197601
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-4-9-15-13(11-18-2)10-12-5-7-14(8-6-12)19(3,16)17/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyRQWVOQFKGSRUDT-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine (CID 63197601) is 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine is CCCNC(COC)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine?
The InChIKey is RQWVOQFKGSRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-9-15-13(11-18-2)10-12-5-7-14(8-6-12)19(3,16)17/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine?
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).