2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol

C17H21NO3 — CID 81367015

IUPAC2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc([C@@H](C)NCc2cccc(OC)c2O)cc1
InChIInChI=1S/C17H21NO3/c1-12(13-7-9-15(20-2)10-8-13)18-11-14-5-4-6-16(21-3)17(14)19/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1
InChIKeyFLUCHNPWMOHOHM-GFCCVEGCSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds6

About 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol

2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol (PubChem CID 81367015) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
PubChem CID81367015
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc([C@@H](C)NCc2cccc(OC)c2O)cc1
InChIInChI=1S/C17H21NO3/c1-12(13-7-9-15(20-2)10-8-13)18-11-14-5-4-6-16(21-3)17(14)19/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1
InChIKeyFLUCHNPWMOHOHM-GFCCVEGCSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]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

3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
(1S)-1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81356463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol (CID 81367015) is 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol is COc1ccc([C@@H](C)NCc2cccc(OC)c2O)cc1.
What is the InChIKey of 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
The InChIKey is FLUCHNPWMOHOHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(13-7-9-15(20-2)10-8-13)18-11-14-5-4-6-16(21-3)17(14)19/h4-10,12,18-19H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol?
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81367015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).