2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol

C11H16BrNO3 — CID 117468575

IUPAC2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(Br)cc1C(O)CN
InChIInChI=1S/C11H16BrNO3/c1-15-6-7-3-11(16-2)9(12)4-8(7)10(14)5-13/h3-4,10,14H,5-6,13H2,1-2H3
InChIKeyLRWBXMJJGKLIGK-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol

2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol (PubChem CID 117468575) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
PubChem CID117468575
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)c(Br)cc1C(O)CN
InChIInChI=1S/C11H16BrNO3/c1-15-6-7-3-11(16-2)9(12)4-8(7)10(14)5-13/h3-4,10,14H,5-6,13H2,1-2H3
InChIKeyLRWBXMJJGKLIGK-UHFFFAOYSA-N
XLogP1.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol (CID 117468575) is 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol is COCc1cc(OC)c(Br)cc1C(O)CN.
What is the InChIKey of 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol?
The InChIKey is LRWBXMJJGKLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-15-6-7-3-11(16-2)9(12)4-8(7)10(14)5-13/h3-4,10,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol?
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol has a molecular weight of 290.16 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117468575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).