2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol

C15H25NO3 — CID 114941057

IUPAC2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
SMILESCCOc1cccc(CNCC(C)(C)OCC)c1O
InChIInChI=1S/C15H25NO3/c1-5-18-13-9-7-8-12(14(13)17)10-16-11-15(3,4)19-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyKJLHJVXYZLGQMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.70
Rot. Bonds8

About 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol

2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol (PubChem CID 114941057) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
PubChem CID114941057
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
SMILESCCOc1cccc(CNCC(C)(C)OCC)c1O
InChIInChI=1S/C15H25NO3/c1-5-18-13-9-7-8-12(14(13)17)10-16-11-15(3,4)19-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyKJLHJVXYZLGQMD-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol (CID 114941057) is 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol is CCOc1cccc(CNCC(C)(C)OCC)c1O.
What is the InChIKey of 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol?
The InChIKey is KJLHJVXYZLGQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-18-13-9-7-8-12(14(13)17)10-16-11-15(3,4)19-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol?
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 114941057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).