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

C13H18BrNO3 — CID 43609733

IUPAC2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
SMILESCOc1cc(CNC2CCOCC2)cc(Br)c1O
InChIInChI=1S/C13H18BrNO3/c1-17-12-7-9(6-11(14)13(12)16)8-15-10-2-4-18-5-3-10/h6-7,10,15-16H,2-5,8H2,1H3
InChIKeyAJJHOIORBWJARU-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.43
Rot. Bonds4

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

2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol (PubChem CID 43609733) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
PubChem CID43609733
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
SMILESCOc1cc(CNC2CCOCC2)cc(Br)c1O
InChIInChI=1S/C13H18BrNO3/c1-17-12-7-9(6-11(14)13(12)16)8-15-10-2-4-18-5-3-10/h6-7,10,15-16H,2-5,8H2,1H3
InChIKeyAJJHOIORBWJARU-UHFFFAOYSA-N
XLogP2.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
N-[[3-bromo-5-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63557340
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 54893848
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43614860
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol (CID 43609733) is 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol is COc1cc(CNC2CCOCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol?
The InChIKey is AJJHOIORBWJARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-17-12-7-9(6-11(14)13(12)16)8-15-10-2-4-18-5-3-10/h6-7,10,15-16H,2-5,8H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol has a molecular weight of 316.20 g/mol, XLogP of 2.43, 4 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-ylamino)methyl]phenol is sourced from PubChem (CID 43609733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).