2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol

C17H21NO3 — CID 111467841

IUPAC2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
SMILESCOc1cccc(C(CO)NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H21NO3/c1-12-6-7-17(20)14(8-12)10-18-16(11-19)13-4-3-5-15(9-13)21-2/h3-9,16,18-20H,10-11H2,1-2H3
InChIKeyQHCPYEGKFSMQAT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds6

About 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol

2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol (PubChem CID 111467841) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
PubChem CID111467841
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
SMILESCOc1cccc(C(CO)NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H21NO3/c1-12-6-7-17(20)14(8-12)10-18-16(11-19)13-4-3-5-15(9-13)21-2/h3-9,16,18-20H,10-11H2,1-2H3
InChIKeyQHCPYEGKFSMQAT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol 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-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
CID 111467761
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111467784
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115556675

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol (CID 111467841) is 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol is COc1cccc(C(CO)NCc2cc(C)ccc2O)c1.
What is the InChIKey of 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol?
The InChIKey is QHCPYEGKFSMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-6-7-17(20)14(8-12)10-18-16(11-19)13-4-3-5-15(9-13)21-2/h3-9,16,18-20H,10-11H2,1-2H3.
What are the key properties of 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol?
2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol has a molecular weight of 287.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 111467841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).