N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine

C15H25NO4S — CID 115889887

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-6-21(17,18)10-11(2)16-12(3)14-9-13(19-4)7-8-15(14)20-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyMXIOOTMPJKKVCH-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.18
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115889887) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115889887
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4S/c1-6-21(17,18)10-11(2)16-12(3)14-9-13(19-4)7-8-15(14)20-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyMXIOOTMPJKKVCH-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine (CID 115889887) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NC(C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is MXIOOTMPJKKVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-6-21(17,18)10-11(2)16-12(3)14-9-13(19-4)7-8-15(14)20-5/h7-9,11-12,16H,6,10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115889887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).