2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine

C15H25NO3 — CID 103181898

IUPAC2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
SMILESCOCCCOCCOc1c(C)cccc1CCN
InChIInChI=1S/C15H25NO3/c1-13-5-3-6-14(7-8-16)15(13)19-12-11-18-10-4-9-17-2/h3,5-6H,4,7-12,16H2,1-2H3
InChIKeyWWRTXFYMKIWIHN-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.93
Rot. Bonds10

About 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine

2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine (PubChem CID 103181898) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
PubChem CID103181898
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
SMILESCOCCCOCCOc1c(C)cccc1CCN
InChIInChI=1S/C15H25NO3/c1-13-5-3-6-14(7-8-16)15(13)19-12-11-18-10-4-9-17-2/h3,5-6H,4,7-12,16H2,1-2H3
InChIKeyWWRTXFYMKIWIHN-UHFFFAOYSA-N
XLogP1.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.93
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-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135
5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
5-[2-(2-aminoethyl)-6-methylphenoxy]pentanenitrile
CID 112614744
2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103181909
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine (CID 103181898) is 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine is COCCCOCCOc1c(C)cccc1CCN.
What is the InChIKey of 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine?
The InChIKey is WWRTXFYMKIWIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13-5-3-6-14(7-8-16)15(13)19-12-11-18-10-4-9-17-2/h3,5-6H,4,7-12,16H2,1-2H3.
What are the key properties of 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine?
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 103181898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).