2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine

C12H19NO3S — CID 62355049

IUPAC2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO3S/c1-4-12(2,9-13)16-10-6-5-7-11(8-10)17(3,14)15/h5-8H,4,9,13H2,1-3H3
InChIKeyVMZSLMREUPHRNB-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.60
Rot. Bonds5

About 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine

2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine (PubChem CID 62355049) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine
PubChem CID62355049
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO3S/c1-4-12(2,9-13)16-10-6-5-7-11(8-10)17(3,14)15/h5-8H,4,9,13H2,1-3H3
InChIKeyVMZSLMREUPHRNB-UHFFFAOYSA-N
XLogP1.60
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(3-methylsulfonylphenoxy)butan-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

1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
CID 63070637
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803153
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
2-amino-2-ethyl-5-(3-methylsulfonylphenoxy)pentanoic acid
CID 106807028
O-(3-methylsulfonylphenyl) carbamothioate
CID 87542484
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine?
The IUPAC name of 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine (CID 62355049) is 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine?
The canonical SMILES for 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine is CCC(C)(CN)Oc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine?
The InChIKey is VMZSLMREUPHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-12(2,9-13)16-10-6-5-7-11(8-10)17(3,14)15/h5-8H,4,9,13H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine?
2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine is sourced from PubChem (CID 62355049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).