2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol

C16H25NO3 — CID 82981600

IUPAC2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(CC)CC2CCCO2)c1O
InChIInChI=1S/C16H25NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-5-9-15(16(13)18)19-4-2/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyRQFFFHIGXZRQQW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.79
Rot. Bonds7

About 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol

2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol (PubChem CID 82981600) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
PubChem CID82981600
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(CC)CC2CCCO2)c1O
InChIInChI=1S/C16H25NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-5-9-15(16(13)18)19-4-2/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyRQFFFHIGXZRQQW-UHFFFAOYSA-N
XLogP2.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 112553432
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
N-[(2,3-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818394
2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 51952595
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol (CID 82981600) is 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol is CCOc1cccc(CN(CC)CC2CCCO2)c1O.
What is the InChIKey of 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is RQFFFHIGXZRQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-5-9-15(16(13)18)19-4-2/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol?
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 82981600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).