2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol

C14H20BrNO3 — CID 63726270

IUPAC2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCC2CCOCC2)cc(Br)c1O
InChIInChI=1S/C14H20BrNO3/c1-18-13-7-11(6-12(15)14(13)17)9-16-8-10-2-4-19-5-3-10/h6-7,10,16-17H,2-5,8-9H2,1H3
InChIKeyHXQKWLLAVLVNEF-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.68
Rot. Bonds5

About 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol

2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol (PubChem CID 63726270) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
PubChem CID63726270
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCC2CCOCC2)cc(Br)c1O
InChIInChI=1S/C14H20BrNO3/c1-18-13-7-11(6-12(15)14(13)17)9-16-8-10-2-4-19-5-3-10/h6-7,10,16-17H,2-5,8-9H2,1H3
InChIKeyHXQKWLLAVLVNEF-UHFFFAOYSA-N
XLogP2.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 54893848
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 60962285
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol (CID 63726270) is 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol is COc1cc(CNCC2CCOCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol?
The InChIKey is HXQKWLLAVLVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-18-13-7-11(6-12(15)14(13)17)9-16-8-10-2-4-19-5-3-10/h6-7,10,16-17H,2-5,8-9H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol has a molecular weight of 330.22 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 63726270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).