1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine

C12H19NO3 — CID 82709740

IUPAC1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO3/c1-5-16-13-9(2)11-8-10(14-3)6-7-12(11)15-4/h6-9,13H,5H2,1-4H3
InChIKeyUOANJBFSCIOEOT-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.31
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine

1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine (PubChem CID 82709740) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
PubChem CID82709740
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO3/c1-5-16-13-9(2)11-8-10(14-3)6-7-12(11)15-4/h6-9,13H,5H2,1-4H3
InChIKeyUOANJBFSCIOEOT-UHFFFAOYSA-N
XLogP2.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
CID 94666737

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine (CID 82709740) is 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine is CCONC(C)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine?
The InChIKey is UOANJBFSCIOEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-16-13-9(2)11-8-10(14-3)6-7-12(11)15-4/h6-9,13H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine?
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine is sourced from PubChem (CID 82709740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).