2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine

C14H23NO3 — CID 78910443

IUPAC2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCCOC(CNCc1ccccc1OC)OCC
InChIInChI=1S/C14H23NO3/c1-4-17-14(18-5-2)11-15-10-12-8-6-7-9-13(12)16-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyBWGKGEQHHJJZIR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds9

About 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine

2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 78910443) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID78910443
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCCOC(CNCc1ccccc1OC)OCC
InChIInChI=1S/C14H23NO3/c1-4-17-14(18-5-2)11-15-10-12-8-6-7-9-13(12)16-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyBWGKGEQHHJJZIR-UHFFFAOYSA-N
XLogP2.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
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

N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 10612980
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910427
methyl 2-[(2,2-diethoxyethylamino)methyl]benzoate
CID 79547520
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
CID 79548465
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 83960655
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
2-[(2,2-diethoxyethylamino)methyl]-4-fluorophenol
CID 107694482
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine (CID 78910443) is 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine is CCOC(CNCc1ccccc1OC)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is BWGKGEQHHJJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-14(18-5-2)11-15-10-12-8-6-7-9-13(12)16-3/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine?
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 78910443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).