5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol

C15H25NO3 — CID 103271015

IUPAC5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
SMILESCCOCC(NCc1ccc(OC)c(O)c1)C(C)C
InChIInChI=1S/C15H25NO3/c1-5-19-10-13(11(2)3)16-9-12-6-7-15(18-4)14(17)8-12/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyWLSXKCTYUSTHQG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds8

About 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol

5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol (PubChem CID 103271015) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
PubChem CID103271015
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
SMILESCCOCC(NCc1ccc(OC)c(O)c1)C(C)C
InChIInChI=1S/C15H25NO3/c1-5-19-10-13(11(2)3)16-9-12-6-7-15(18-4)14(17)8-12/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyWLSXKCTYUSTHQG-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol 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-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114869
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]-2-methoxyphenol
CID 115660415
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol (CID 103271015) is 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol is CCOCC(NCc1ccc(OC)c(O)c1)C(C)C.
What is the InChIKey of 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is WLSXKCTYUSTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-19-10-13(11(2)3)16-9-12-6-7-15(18-4)14(17)8-12/h6-8,11,13,16-17H,5,9-10H2,1-4H3.
What are the key properties of 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol?
5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 267.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 103271015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).