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

C15H25NO3 — CID 63619044

IUPAC2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCOC(CN(C)Cc1ccccc1OC)OCC
InChIInChI=1S/C15H25NO3/c1-5-18-15(19-6-2)12-16(3)11-13-9-7-8-10-14(13)17-4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyXSBCTZSKJHEHAC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds9

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

2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 63619044) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID63619044
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCOC(CN(C)Cc1ccccc1OC)OCC
InChIInChI=1S/C15H25NO3/c1-5-18-15(19-6-2)12-16(3)11-13-9-7-8-10-14(13)17-4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyXSBCTZSKJHEHAC-UHFFFAOYSA-N
XLogP2.53
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
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

3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
CID 62043369
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
3,3,3-trifluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]propanethioamide
CID 103368583
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (CID 63619044) is 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is CCOC(CN(C)Cc1ccccc1OC)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is XSBCTZSKJHEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-18-15(19-6-2)12-16(3)11-13-9-7-8-10-14(13)17-4/h7-10,15H,5-6,11-12H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 63619044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).