[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol

C17H27NO3 — CID 77090517

IUPAC[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol
SMILESCCOc1ccc(CN(C)CC2CCCCO2)cc1CO
InChIInChI=1S/C17H27NO3/c1-3-20-17-8-7-14(10-15(17)13-19)11-18(2)12-16-6-4-5-9-21-16/h7-8,10,16,19H,3-6,9,11-13H2,1-2H3
InChIKeyYFLWAEYSNZNBQP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.58
Rot. Bonds7

About [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol

[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol (PubChem CID 77090517) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol
PubChem CID77090517
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol
SMILESCCOc1ccc(CN(C)CC2CCCCO2)cc1CO
InChIInChI=1S/C17H27NO3/c1-3-20-17-8-7-14(10-15(17)13-19)11-18(2)12-16-6-4-5-9-21-16/h7-8,10,16,19H,3-6,9,11-13H2,1-2H3
InChIKeyYFLWAEYSNZNBQP-UHFFFAOYSA-N
XLogP2.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
2-bromo-6-ethoxy-4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenol
CID 82958626
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
CID 99717398
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol (CID 77090517) is [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol is CCOc1ccc(CN(C)CC2CCCCO2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol?
The InChIKey is YFLWAEYSNZNBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-20-17-8-7-14(10-15(17)13-19)11-18(2)12-16-6-4-5-9-21-16/h7-8,10,16,19H,3-6,9,11-13H2,1-2H3.
What are the key properties of [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol?
[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 77090517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).