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

C14H22N2O3 — CID 43195502

IUPAC2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
SMILESCC(NCCN1CCOCC1)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3
InChIKeyTUNAWQMXCFVYKK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds5

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

2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol (PubChem CID 43195502) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
PubChem CID43195502
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
SMILESCC(NCCN1CCOCC1)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3
InChIKeyTUNAWQMXCFVYKK-UHFFFAOYSA-N
XLogP1.08
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
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

4-methoxy-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43195506
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol (CID 43195502) is 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol is CC(NCCN1CCOCC1)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
The InChIKey is TUNAWQMXCFVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(13-10-12(17)2-3-14(13)18)15-4-5-16-6-8-19-9-7-16/h2-3,10-11,15,17-18H,4-9H2,1H3.
What are the key properties of 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol?
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol has a molecular weight of 266.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol is sourced from PubChem (CID 43195502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).