N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine

C15H25NO3S — CID 106721979

IUPACN-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-5-16-12-13-8-6-7-9-14(13)19-10-11-20(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyDJMIYSIJUXHXBG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.39
Rot. Bonds7

About N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine

N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine (PubChem CID 106721979) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
PubChem CID106721979
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-5-16-12-13-8-6-7-9-14(13)19-10-11-20(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyDJMIYSIJUXHXBG-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
CID 106723822
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 63190777
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959122

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine (CID 106721979) is N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine?
The InChIKey is DJMIYSIJUXHXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-16-12-13-8-6-7-9-14(13)19-10-11-20(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine?
N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 106721979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).