3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine

C16H28N2O2 — CID 62436682

IUPAC3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCNCc1ccccc1CN(CCCOC)CCOC
InChIInChI=1S/C16H28N2O2/c1-17-13-15-7-4-5-8-16(15)14-18(10-12-20-3)9-6-11-19-2/h4-5,7-8,17H,6,9-14H2,1-3H3
InChIKeyIBPZKOVHFLPLQD-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds11

About 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine

3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine (PubChem CID 62436682) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
PubChem CID62436682
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCNCc1ccccc1CN(CCCOC)CCOC
InChIInChI=1S/C16H28N2O2/c1-17-13-15-7-4-5-8-16(15)14-18(10-12-20-3)9-6-11-19-2/h4-5,7-8,17H,6,9-14H2,1-3H3
InChIKeyIBPZKOVHFLPLQD-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
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2-[[2-methoxyethyl(propyl)amino]methyl]aniline
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[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine (CID 62436682) is 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine is CNCc1ccccc1CN(CCCOC)CCOC.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine?
The InChIKey is IBPZKOVHFLPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17-13-15-7-4-5-8-16(15)14-18(10-12-20-3)9-6-11-19-2/h4-5,7-8,17H,6,9-14H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine?
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).