N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine

C13H21NO3S — CID 107234098

IUPACN-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
SMILESCCS(=O)(=O)CCNC(COC)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)10-9-14-13(11-17-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyLZCAWXDLZLMXCQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.40
Rot. Bonds8

About N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine

N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine (PubChem CID 107234098) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
PubChem CID107234098
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
SMILESCCS(=O)(=O)CCNC(COC)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)10-9-14-13(11-17-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyLZCAWXDLZLMXCQ-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
CID 106334908
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine (CID 107234098) is N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine is CCS(=O)(=O)CCNC(COC)c1ccccc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine?
The InChIKey is LZCAWXDLZLMXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-18(15,16)10-9-14-13(11-17-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine?
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine has a molecular weight of 271.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 107234098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).