2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine

C19H26N2O4S — CID 171797156

IUPAC2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
SMILES[H]N=S(C)(=O)c1cc(OC)c(CCNCc2ccccc2OC)cc1OC
InChIInChI=1S/C19H26N2O4S/c1-23-16-8-6-5-7-15(16)13-21-10-9-14-11-18(25-3)19(26(4,20)22)12-17(14)24-2/h5-8,11-12,20-21H,9-10,13H2,1-4H3
InChIKeyRLCPCENWWRORFI-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.08
Rot. Bonds9

About 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine

2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 171797156) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID171797156
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
SMILES[H]N=S(C)(=O)c1cc(OC)c(CCNCc2ccccc2OC)cc1OC
InChIInChI=1S/C19H26N2O4S/c1-23-16-8-6-5-7-15(16)13-21-10-9-14-11-18(25-3)19(26(4,20)22)12-17(14)24-2/h5-8,11-12,20-21H,9-10,13H2,1-4H3
InChIKeyRLCPCENWWRORFI-UHFFFAOYSA-N
XLogP3.08
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
CID 175819744

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine (CID 171797156) is 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine is [H]N=S(C)(=O)c1cc(OC)c(CCNCc2ccccc2OC)cc1OC.
What is the InChIKey of 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is RLCPCENWWRORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-23-16-8-6-5-7-15(16)13-21-10-9-14-11-18(25-3)19(26(4,20)22)12-17(14)24-2/h5-8,11-12,20-21H,9-10,13H2,1-4H3.
What are the key properties of 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 378.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 171797156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).