4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol

C12H18N2O3 — CID 16782087

IUPAC4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
SMILESNCC(c1ccc(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c13-8-10(14-3-5-17-6-4-14)9-1-2-11(15)12(16)7-9/h1-2,7,10,15-16H,3-6,8,13H2
InChIKeyQTDBCLRXROLVCA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.43
Rot. Bonds3

About 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol

4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol (PubChem CID 16782087) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
PubChem CID16782087
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
SMILESNCC(c1ccc(O)c(O)c1)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c13-8-10(14-3-5-17-6-4-14)9-1-2-11(15)12(16)7-9/h1-2,7,10,15-16H,3-6,8,13H2
InChIKeyQTDBCLRXROLVCA-UHFFFAOYSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol 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

4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
CID 11971899
2-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-ylethanamine
CID 43804461
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
(2R)-2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 30114876
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol?
The IUPAC name of 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol (CID 16782087) is 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol?
The canonical SMILES for 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol is NCC(c1ccc(O)c(O)c1)N1CCOCC1.
What is the InChIKey of 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol?
The InChIKey is QTDBCLRXROLVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-8-10(14-3-5-17-6-4-14)9-1-2-11(15)12(16)7-9/h1-2,7,10,15-16H,3-6,8,13H2.
What are the key properties of 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol?
4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol has a molecular weight of 238.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol is sourced from PubChem (CID 16782087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).