[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine

C15H25NO4 — CID 103401488

IUPAC[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
SMILESCOCCOCCCOCc1ccc(OC)c(CN)c1
InChIInChI=1S/C15H25NO4/c1-17-8-9-19-6-3-7-20-12-13-4-5-15(18-2)14(10-13)11-16/h4-5,10H,3,6-9,11-12,16H2,1-2H3
InChIKeyGWVFAITVABYLDL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.72
Rot. Bonds11

About [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine

[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine (PubChem CID 103401488) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
PubChem CID103401488
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
SMILESCOCCOCCCOCc1ccc(OC)c(CN)c1
InChIInChI=1S/C15H25NO4/c1-17-8-9-19-6-3-7-20-12-13-4-5-15(18-2)14(10-13)11-16/h4-5,10H,3,6-9,11-12,16H2,1-2H3
InChIKeyGWVFAITVABYLDL-UHFFFAOYSA-N
XLogP1.72
TPSA62.94 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 ≤ 51.72
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

[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412
2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402474
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 82827758
[2-methoxy-5-(3-methoxypropylsulfonylmethyl)phenyl]methanamine
CID 65344155
[5-(furan-2-ylmethoxymethyl)-2-methoxyphenyl]methanamine
CID 65338776
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine (CID 103401488) is [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine is COCCOCCCOCc1ccc(OC)c(CN)c1.
What is the InChIKey of [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine?
The InChIKey is GWVFAITVABYLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-17-8-9-19-6-3-7-20-12-13-4-5-15(18-2)14(10-13)11-16/h4-5,10H,3,6-9,11-12,16H2,1-2H3.
What are the key properties of [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine?
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 1.72, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine is sourced from PubChem (CID 103401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).