2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine

C14H23NO3 — CID 79496366

IUPAC2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-5-17-14(18-6-2)13(15-3)11-9-7-8-10-12(11)16-4/h7-10,13-15H,5-6H2,1-4H3
InChIKeyCNMDSIZIYQPGHW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds8

About 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine

2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 79496366) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
PubChem CID79496366
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-5-17-14(18-6-2)13(15-3)11-9-7-8-10-12(11)16-4/h7-10,13-15H,5-6H2,1-4H3
InChIKeyCNMDSIZIYQPGHW-UHFFFAOYSA-N
XLogP2.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 116810595
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
[2-ethoxy-1-(2-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279209

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine (CID 79496366) is 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine is CCOC(OCC)C(NC)c1ccccc1OC.
What is the InChIKey of 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is CNMDSIZIYQPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-17-14(18-6-2)13(15-3)11-9-7-8-10-12(11)16-4/h7-10,13-15H,5-6H2,1-4H3.
What are the key properties of 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine?
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 79496366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).