N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine

C15H25NO4 — CID 10612980

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc(OC)c1OC)OCC
InChIInChI=1S/C15H25NO4/c1-5-19-14(20-6-2)11-16-10-12-8-7-9-13(17-3)15(12)18-4/h7-9,14,16H,5-6,10-11H2,1-4H3
InChIKeyBCQDFNHNUDHENS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds10

About N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine

N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine (PubChem CID 10612980) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
PubChem CID10612980
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc(OC)c1OC)OCC
InChIInChI=1S/C15H25NO4/c1-5-19-14(20-6-2)11-16-10-12-8-7-9-13(17-3)15(12)18-4/h7-9,14,16H,5-6,10-11H2,1-4H3
InChIKeyBCQDFNHNUDHENS-UHFFFAOYSA-N
XLogP2.19
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910427
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine (CID 10612980) is N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine is CCOC(CNCc1cccc(OC)c1OC)OCC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The InChIKey is BCQDFNHNUDHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-14(20-6-2)11-16-10-12-8-7-9-13(17-3)15(12)18-4/h7-9,14,16H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 10612980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).