4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol

C13H22N2O2 — CID 114263842

IUPAC4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol
SMILESCCN(CCOCCN)Cc1ccc(O)cc1
InChIInChI=1S/C13H22N2O2/c1-2-15(8-10-17-9-7-14)11-12-3-5-13(16)6-4-12/h3-6,16H,2,7-11,14H2,1H3
InChIKeyIODBYWNUNRDLRZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.19
Rot. Bonds8

About 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol

4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol (PubChem CID 114263842) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol
PubChem CID114263842
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol
SMILESCCN(CCOCCN)Cc1ccc(O)cc1
InChIInChI=1S/C13H22N2O2/c1-2-15(8-10-17-9-7-14)11-12-3-5-13(16)6-4-12/h3-6,16H,2,7-11,14H2,1H3
InChIKeyIODBYWNUNRDLRZ-UHFFFAOYSA-N
XLogP1.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol?
The IUPAC name of 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol (CID 114263842) is 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol?
The canonical SMILES for 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol is CCN(CCOCCN)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol?
The InChIKey is IODBYWNUNRDLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-15(8-10-17-9-7-14)11-12-3-5-13(16)6-4-12/h3-6,16H,2,7-11,14H2,1H3.
What are the key properties of 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol?
4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol is sourced from PubChem (CID 114263842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).