N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine

C30H55NO12 — CID 175125117

IUPACN-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OCCOCCOCOCC)c(OCCOCCOCOCC)c(OCCOCCOCOCC)c1
InChIInChI=1S/C30H55NO12/c1-5-31-23-27-21-28(41-18-15-35-9-12-38-24-32-6-2)30(43-20-17-37-11-14-40-26-34-8-4)29(22-27)42-19-16-36-10-13-39-25-33-7-3/h21-22,31H,5-20,23-26H2,1-4H3
InChIKeyAPVFDKCCUMZELD-UHFFFAOYSA-N
MW621.77 g/mol
LogP3.01
Rot. Bonds33

About N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine

N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine (PubChem CID 175125117) has the molecular formula C30H55NO12 and a molecular weight of 621.77 g/mol. Its IUPAC name is N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
PubChem CID175125117
Molecular FormulaC30H55NO12
Molecular Weight621.77 g/mol
Exact Mass621.37
IUPAC NameN-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OCCOCCOCOCC)c(OCCOCCOCOCC)c(OCCOCCOCOCC)c1
InChIInChI=1S/C30H55NO12/c1-5-31-23-27-21-28(41-18-15-35-9-12-38-24-32-6-2)30(43-20-17-37-11-14-40-26-34-8-4)29(22-27)42-19-16-36-10-13-39-25-33-7-3/h21-22,31H,5-20,23-26H2,1-4H3
InChIKeyAPVFDKCCUMZELD-UHFFFAOYSA-N
XLogP3.01
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol
CID 89081672
N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932
N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine
CID 2213024
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetonitrile
CID 60889105
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
N-[[3,5-dibromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 107742570
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362

Frequently Asked Questions

What is the IUPAC name of N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine (CID 175125117) is N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(OCCOCCOCOCC)c(OCCOCCOCOCC)c(OCCOCCOCOCC)c1.
What is the InChIKey of N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The InChIKey is APVFDKCCUMZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO12/c1-5-31-23-27-21-28(41-18-15-35-9-12-38-24-32-6-2)30(43-20-17-37-11-14-40-26-34-8-4)29(22-27)42-19-16-36-10-13-39-25-33-7-3/h21-22,31H,5-20,23-26H2,1-4H3.
What are the key properties of N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine has a molecular weight of 621.77 g/mol, XLogP of 3.01, 33 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 175125117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).