2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol

C15H25NO2 — CID 82976872

IUPAC2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)C(CC)CC)c1O
InChIInChI=1S/C15H25NO2/c1-5-13(6-2)16(4)11-12-9-8-10-14(15(12)17)18-7-3/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyFVCRRFKYKBVSOU-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.41
Rot. Bonds7

About 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol

2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82976872) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82976872
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)C(CC)CC)c1O
InChIInChI=1S/C15H25NO2/c1-5-13(6-2)16(4)11-12-9-8-10-14(15(12)17)18-7-3/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyFVCRRFKYKBVSOU-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
CID 82978366
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 82976872) is 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol is CCOc1cccc(CN(C)C(CC)CC)c1O.
What is the InChIKey of 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is FVCRRFKYKBVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-13(6-2)16(4)11-12-9-8-10-14(15(12)17)18-7-3/h8-10,13,17H,5-7,11H2,1-4H3.
What are the key properties of 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82976872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).