2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol

C14H22N2O3 — CID 115314817

IUPAC2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
SMILESCC(N)C1CN(C(C)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C14H22N2O3/c1-9(15)14-8-16(5-6-19-14)10(2)12-7-11(17)3-4-13(12)18/h3-4,7,9-10,14,17-18H,5-6,8,15H2,1-2H3
InChIKeyAGPXSIUHBYFBEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.21
Rot. Bonds3

About 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol

2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol (PubChem CID 115314817) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
PubChem CID115314817
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
SMILESCC(N)C1CN(C(C)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C14H22N2O3/c1-9(15)14-8-16(5-6-19-14)10(2)12-7-11(17)3-4-13(12)18/h3-4,7,9-10,14,17-18H,5-6,8,15H2,1-2H3
InChIKeyAGPXSIUHBYFBEG-UHFFFAOYSA-N
XLogP1.21
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
CID 43130831
2-[1-[2-(1-aminoethyl)morpholin-4-yl]propyl]phenol
CID 115314981
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
CID 115314805
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol (CID 115314817) is 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol is CC(N)C1CN(C(C)c2cc(O)ccc2O)CCO1.
What is the InChIKey of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol?
The InChIKey is AGPXSIUHBYFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(15)14-8-16(5-6-19-14)10(2)12-7-11(17)3-4-13(12)18/h3-4,7,9-10,14,17-18H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol?
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol has a molecular weight of 266.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol is sourced from PubChem (CID 115314817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).