2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol

C17H21NO3 — CID 43748484

IUPAC2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
SMILESCCOc1cc(CNC(C)c2cccc(O)c2)ccc1O
InChIInChI=1S/C17H21NO3/c1-3-21-17-9-13(7-8-16(17)20)11-18-12(2)14-5-4-6-15(19)10-14/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyQHFYNFHCHGRPQF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.35
Rot. Bonds6

About 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol

2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol (PubChem CID 43748484) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
PubChem CID43748484
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
SMILESCCOc1cc(CNC(C)c2cccc(O)c2)ccc1O
InChIInChI=1S/C17H21NO3/c1-3-21-17-9-13(7-8-16(17)20)11-18-12(2)14-5-4-6-15(19)10-14/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyQHFYNFHCHGRPQF-UHFFFAOYSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol 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-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 43181668
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
CID 115676860

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol (CID 43748484) is 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol is CCOc1cc(CNC(C)c2cccc(O)c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol?
The InChIKey is QHFYNFHCHGRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-21-17-9-13(7-8-16(17)20)11-18-12(2)14-5-4-6-15(19)10-14/h4-10,12,18-20H,3,11H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol?
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 43748484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).