[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine

C14H23NO3 — CID 103177032

IUPAC[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
SMILESCOCCCOCCOCc1ccccc1CN
InChIInChI=1S/C14H23NO3/c1-16-7-4-8-17-9-10-18-12-14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKeyJOSWNJLAAQHCSG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.72
Rot. Bonds10

About [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine

[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine (PubChem CID 103177032) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
PubChem CID103177032
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
SMILESCOCCCOCCOCc1ccccc1CN
InChIInChI=1S/C14H23NO3/c1-16-7-4-8-17-9-10-18-12-14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKeyJOSWNJLAAQHCSG-UHFFFAOYSA-N
XLogP1.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.72
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

3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
CID 103403216
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970255
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
CID 106908742
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
2-(2-methoxyethoxymethyl)phenol
CID 21397612

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine (CID 103177032) is [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine is COCCCOCCOCc1ccccc1CN.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine?
The InChIKey is JOSWNJLAAQHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-7-4-8-17-9-10-18-12-14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-12,15H2,1H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine?
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 1.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine is sourced from PubChem (CID 103177032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).