4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol

C14H21NO5 — CID 60962285

IUPAC4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC2COCCO2)cc(OC)c1O
InChIInChI=1S/C14H21NO5/c1-17-12-5-10(6-13(18-2)14(12)16)7-15-8-11-9-19-3-4-20-11/h5-6,11,15-16H,3-4,7-9H2,1-2H3
InChIKeyRGRMIAYECNLQLH-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.91
Rot. Bonds6

About 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol

4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol (PubChem CID 60962285) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
PubChem CID60962285
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC2COCCO2)cc(OC)c1O
InChIInChI=1S/C14H21NO5/c1-17-12-5-10(6-13(18-2)14(12)16)7-15-8-11-9-19-3-4-20-11/h5-6,11,15-16H,3-4,7-9H2,1-2H3
InChIKeyRGRMIAYECNLQLH-UHFFFAOYSA-N
XLogP0.91
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 54893848
4-chloro-2-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 104646147
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787175
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64988445
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]phenol
CID 60962286
1-(1,4-dioxan-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453529
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
4-[(1,4-dioxan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 54893581
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol (CID 60962285) is 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol is COc1cc(CNCC2COCCO2)cc(OC)c1O.
What is the InChIKey of 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol?
The InChIKey is RGRMIAYECNLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-12-5-10(6-13(18-2)14(12)16)7-15-8-11-9-19-3-4-20-11/h5-6,11,15-16H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol?
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol has a molecular weight of 283.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 60962285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).