2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine

C15H25NO3S — CID 106708655

IUPAC2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine
SMILESCC(C)(CN)CCCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-15(2,12-16)10-4-5-11-19-13-6-8-14(9-7-13)20(3,17)18/h6-9H,4-5,10-12,16H2,1-3H3
InChIKeyZWGTYHXNBLDPHH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.62
Rot. Bonds8

About 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine

2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine (PubChem CID 106708655) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine
PubChem CID106708655
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine
SMILESCC(C)(CN)CCCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-15(2,12-16)10-4-5-11-19-13-6-8-14(9-7-13)20(3,17)18/h6-9H,4-5,10-12,16H2,1-3H3
InChIKeyZWGTYHXNBLDPHH-UHFFFAOYSA-N
XLogP2.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
2,2-dimethyl-5-(4-methylsulfonylphenoxy)pentanoic acid
CID 65259917
6-(4-methylsulfonylphenoxy)hexan-1-ol
CID 107705402
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122
2,2-dimethyl-3-(4-methylsulfonylphenoxy)propane-1-sulfonamide
CID 64998335
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
2,2-dimethyl-4-(4-methylsulfonylphenyl)sulfinylbutan-1-amine
CID 81333896
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-4-(113C)methylsulfonylbenzene
CID 54588144
2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine
CID 106708623
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
6-[4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]phenoxy]hexyl acetate
CID 59445237

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine (CID 106708655) is 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine is CC(C)(CN)CCCCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine?
The InChIKey is ZWGTYHXNBLDPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-15(2,12-16)10-4-5-11-19-13-6-8-14(9-7-13)20(3,17)18/h6-9H,4-5,10-12,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine?
2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine is sourced from PubChem (CID 106708655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).