1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine

C16H27NO4 — CID 103406632

IUPAC1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOCCCOCCOC)c1
InChIInChI=1S/C16H27NO4/c1-17-14-15-5-3-6-16(13-15)21-12-11-20-8-4-7-19-10-9-18-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3
InChIKeyOUMZHOFXBLBXBL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.85
Rot. Bonds13

About 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine (PubChem CID 103406632) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
PubChem CID103406632
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOCCCOCCOC)c1
InChIInChI=1S/C16H27NO4/c1-17-14-15-5-3-6-16(13-15)21-12-11-20-8-4-7-19-10-9-18-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3
InChIKeyOUMZHOFXBLBXBL-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine (CID 103406632) is 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCOCCCOCCOC)c1.
What is the InChIKey of 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is OUMZHOFXBLBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-17-14-15-5-3-6-16(13-15)21-12-11-20-8-4-7-19-10-9-18-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3.
What are the key properties of 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 297.40 g/mol, XLogP of 1.85, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 103406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).