2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine

C14H23NO3S — CID 55076924

IUPAC2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-12(10-15-11(2)3)18-13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWSEHODOVPKZDSW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine

2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 55076924) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID55076924
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-12(10-15-11(2)3)18-13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWSEHODOVPKZDSW-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
CID 62485042
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115724383
N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62585681
2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine
CID 54797210
1-[1-(4-methylsulfonylphenyl)propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 133216709
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine (CID 55076924) is 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is WSEHODOVPKZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-12(10-15-11(2)3)18-13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine?
2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55076924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).