2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine

C15H25NO3 — CID 103406557

IUPAC2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
SMILESCOCCOCCCOCc1ccc(CCN)cc1
InChIInChI=1S/C15H25NO3/c1-17-11-12-18-9-2-10-19-13-15-5-3-14(4-6-15)7-8-16/h3-6H,2,7-13,16H2,1H3
InChIKeyKOOLLPSYMVPWDA-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds11

About 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine

2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine (PubChem CID 103406557) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
PubChem CID103406557
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
SMILESCOCCOCCCOCc1ccc(CCN)cc1
InChIInChI=1S/C15H25NO3/c1-17-11-12-18-9-2-10-19-13-15-5-3-14(4-6-15)7-8-16/h3-6H,2,7-13,16H2,1H3
InChIKeyKOOLLPSYMVPWDA-UHFFFAOYSA-N
XLogP1.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
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

2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
4-[3-(2-methoxyethoxy)propoxymethyl]benzenecarbothioamide
CID 103402599
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine (CID 103406557) is 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine is COCCOCCCOCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine?
The InChIKey is KOOLLPSYMVPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-17-11-12-18-9-2-10-19-13-15-5-3-14(4-6-15)7-8-16/h3-6H,2,7-13,16H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine?
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine is sourced from PubChem (CID 103406557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).