2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol

C15H23NO3 — CID 103779359

IUPAC2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNC(C)C2CCOCC2)ccc1O
InChIInChI=1S/C15H23NO3/c1-11(13-5-7-19-8-6-13)16-10-12-3-4-14(17)15(9-12)18-2/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeyNOMCKFWOXSZIJE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol

2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol (PubChem CID 103779359) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
PubChem CID103779359
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNC(C)C2CCOCC2)ccc1O
InChIInChI=1S/C15H23NO3/c1-11(13-5-7-19-8-6-13)16-10-12-3-4-14(17)15(9-12)18-2/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeyNOMCKFWOXSZIJE-UHFFFAOYSA-N
XLogP2.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769090
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103902332
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115655170
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol (CID 103779359) is 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol is COc1cc(CNC(C)C2CCOCC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The InChIKey is NOMCKFWOXSZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(13-5-7-19-8-6-13)16-10-12-3-4-14(17)15(9-12)18-2/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3.
What are the key properties of 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103779359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).