N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine

C16H27NO3S — CID 106722324

IUPACN-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C16H27NO3S/c1-6-17-14(5)15-8-7-13(4)11-16(15)20-9-10-21(18,19)12(2)3/h7-8,11-12,14,17H,6,9-10H2,1-5H3
InChIKeyRJLYDGFBMUKIBK-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.87
Rot. Bonds8

About N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine

N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106722324) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
PubChem CID106722324
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C16H27NO3S/c1-6-17-14(5)15-8-7-13(4)11-16(15)20-9-10-21(18,19)12(2)3/h7-8,11-12,14,17H,6,9-10H2,1-5H3
InChIKeyRJLYDGFBMUKIBK-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63640979
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine (CID 106722324) is N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine is CCNC(C)c1ccc(C)cc1OCCS(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is RJLYDGFBMUKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-6-17-14(5)15-8-7-13(4)11-16(15)20-9-10-21(18,19)12(2)3/h7-8,11-12,14,17H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine?
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 313.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106722324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).