4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine

C15H25NO3S — CID 115648572

IUPAC4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CS(C)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-4-11-16-14(12-20(3,17)18)8-5-13-6-9-15(19-2)10-7-13/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyKEWIWERENMRQCI-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.04
Rot. Bonds9

About 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine

4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 115648572) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
PubChem CID115648572
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CS(C)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-4-11-16-14(12-20(3,17)18)8-5-13-6-9-15(19-2)10-7-13/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyKEWIWERENMRQCI-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
CID 114984994
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
CID 105310787

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine (CID 115648572) is 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine is CCCNC(CCc1ccc(OC)cc1)CS(C)(=O)=O.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is KEWIWERENMRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-11-16-14(12-20(3,17)18)8-5-13-6-9-15(19-2)10-7-13/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine?
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 115648572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).