1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine

C15H25NO4 — CID 103408997

IUPAC1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCCOCCOC)c1
InChIInChI=1S/C15H25NO4/c1-16-12-13-5-6-14(18-3)15(11-13)20-8-4-7-19-10-9-17-2/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyPZCJLENEJAUZPQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.85
Rot. Bonds11

About 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine

1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine (PubChem CID 103408997) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
PubChem CID103408997
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCCOCCOC)c1
InChIInChI=1S/C15H25NO4/c1-16-12-13-5-6-14(18-3)15(11-13)20-8-4-7-19-10-9-17-2/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyPZCJLENEJAUZPQ-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
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-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103409031
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180693
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine (CID 103408997) is 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(OCCCOCCOC)c1.
What is the InChIKey of 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine?
The InChIKey is PZCJLENEJAUZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16-12-13-5-6-14(18-3)15(11-13)20-8-4-7-19-10-9-17-2/h5-6,11,16H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine?
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 103408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).