2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol

C14H23NO3 — CID 82982222

IUPAC2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)C(C)COC)c1O
InChIInChI=1S/C14H23NO3/c1-5-18-13-8-6-7-12(14(13)16)9-15(3)11(2)10-17-4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyVCHJIMQHXYGXRV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.26
Rot. Bonds7

About 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol

2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol (PubChem CID 82982222) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
PubChem CID82982222
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)C(C)COC)c1O
InChIInChI=1S/C14H23NO3/c1-5-18-13-8-6-7-12(14(13)16)9-15(3)11(2)10-17-4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyVCHJIMQHXYGXRV-UHFFFAOYSA-N
XLogP2.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)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

2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
CID 82978366
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61451424
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol (CID 82982222) is 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol is CCOc1cccc(CN(C)C(C)COC)c1O.
What is the InChIKey of 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The InChIKey is VCHJIMQHXYGXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-18-13-8-6-7-12(14(13)16)9-15(3)11(2)10-17-4/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol has a molecular weight of 253.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).