3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine

C16H27NO3 — CID 63628429

IUPAC3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
SMILESCCOC(CCN(C)Cc1ccccc1OC)OCC
InChIInChI=1S/C16H27NO3/c1-5-19-16(20-6-2)11-12-17(3)13-14-9-7-8-10-15(14)18-4/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyVARMMJOIPHNGPH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds10

About 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine

3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine (PubChem CID 63628429) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
PubChem CID63628429
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
SMILESCCOC(CCN(C)Cc1ccccc1OC)OCC
InChIInChI=1S/C16H27NO3/c1-5-19-16(20-6-2)11-12-17(3)13-14-9-7-8-10-15(14)18-4/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyVARMMJOIPHNGPH-UHFFFAOYSA-N
XLogP2.92
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
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

2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
CID 62043369
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
CID 62277579
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine (CID 63628429) is 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine is CCOC(CCN(C)Cc1ccccc1OC)OCC.
What is the InChIKey of 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is VARMMJOIPHNGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-19-16(20-6-2)11-12-17(3)13-14-9-7-8-10-15(14)18-4/h7-10,16H,5-6,11-13H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine?
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63628429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).