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

C16H19NO2 — CID 63324815

IUPAC2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(C)c2cccc(O)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-6-7-16(19)14(8-11)10-17-12(2)13-4-3-5-15(18)9-13/h3-9,12,17-19H,10H2,1-2H3
InChIKeyCTDQBORCEYNWBN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds4

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

2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol (PubChem CID 63324815) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
PubChem CID63324815
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(C)c2cccc(O)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-6-7-16(19)14(8-11)10-17-12(2)13-4-3-5-15(18)9-13/h3-9,12,17-19H,10H2,1-2H3
InChIKeyCTDQBORCEYNWBN-UHFFFAOYSA-N
XLogP3.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[1-(3-hydroxyphenyl)ethylamino]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

4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 81369234
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol (CID 63324815) is 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNC(C)c2cccc(O)c2)c1.
What is the InChIKey of 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol?
The InChIKey is CTDQBORCEYNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-7-16(19)14(8-11)10-17-12(2)13-4-3-5-15(18)9-13/h3-9,12,17-19H,10H2,1-2H3.
What are the key properties of 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol?
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol has a molecular weight of 257.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63324815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).