3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol

C16H27NO5 — CID 59211296

IUPAC3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
SMILESCOCCOCCN(CCOCCOC)c1cccc(O)c1
InChIInChI=1S/C16H27NO5/c1-19-10-12-21-8-6-17(7-9-22-13-11-20-2)15-4-3-5-16(18)14-15/h3-5,14,18H,6-13H2,1-2H3
InChIKeyUTGSOAGMUJSADZ-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.52
Rot. Bonds13

About 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol

3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol (PubChem CID 59211296) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol.

Molecular Properties

Compound Name3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
PubChem CID59211296
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
SMILESCOCCOCCN(CCOCCOC)c1cccc(O)c1
InChIInChI=1S/C16H27NO5/c1-19-10-12-21-8-6-17(7-9-22-13-11-20-2)15-4-3-5-16(18)14-15/h3-5,14,18H,6-13H2,1-2H3
InChIKeyUTGSOAGMUJSADZ-UHFFFAOYSA-N
XLogP1.52
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
2,4-bis[4-[bis[2-(2-methoxyethoxy)ethyl]amino]phenyl]cyclobuta-1,3-diene-1,3-diol
CID 102029569
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-(dioctylamino)phenol
CID 15734569

Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol?
The IUPAC name of 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol (CID 59211296) is 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol.
What is the SMILES notation for 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol?
The canonical SMILES for 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol is COCCOCCN(CCOCCOC)c1cccc(O)c1.
What is the InChIKey of 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol?
The InChIKey is UTGSOAGMUJSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-19-10-12-21-8-6-17(7-9-22-13-11-20-2)15-4-3-5-16(18)14-15/h3-5,14,18H,6-13H2,1-2H3.
What are the key properties of 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol?
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol has a molecular weight of 313.39 g/mol, XLogP of 1.52, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol is sourced from PubChem (CID 59211296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).