N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine

C12H19NO4 — CID 14053540

IUPACN-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
SMILESCNCCOc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-13-5-6-17-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
InChIKeyDQMSYWAWXLRLMU-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.31
Rot. Bonds7

About N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine

N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine (PubChem CID 14053540) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
PubChem CID14053540
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC NameN-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
SMILESCNCCOc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-13-5-6-17-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
InChIKeyDQMSYWAWXLRLMU-UHFFFAOYSA-N
XLogP1.31
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
tert-butyl N-[2-(3-chloro-4,5-dimethoxyphenoxy)ethyl]carbamate
CID 142702396
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The IUPAC name of N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine (CID 14053540) is N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The canonical SMILES for N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine is CNCCOc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The InChIKey is DQMSYWAWXLRLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-13-5-6-17-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine is sourced from PubChem (CID 14053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).