4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol

C17H21NO3 — CID 43202083

IUPAC4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCOc1ccccc1C(C)NC(C)c1ccc(O)cc1O
InChIInChI=1S/C17H21NO3/c1-11(14-9-8-13(19)10-16(14)20)18-12(2)15-6-4-5-7-17(15)21-3/h4-12,18-20H,1-3H3
InChIKeyTXIJGQKZMRUINR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds5

About 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol

4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 43202083) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID43202083
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCOc1ccccc1C(C)NC(C)c1ccc(O)cc1O
InChIInChI=1S/C17H21NO3/c1-11(14-9-8-13(19)10-16(14)20)18-12(2)15-6-4-5-7-17(15)21-3/h4-12,18-20H,1-3H3
InChIKeyTXIJGQKZMRUINR-UHFFFAOYSA-N
XLogP3.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-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

2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol (CID 43202083) is 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol is COc1ccccc1C(C)NC(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is TXIJGQKZMRUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(14-9-8-13(19)10-16(14)20)18-12(2)15-6-4-5-7-17(15)21-3/h4-12,18-20H,1-3H3.
What are the key properties of 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol?
4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 287.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 43202083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).