2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol

C10H15BrN2O — CID 117115338

IUPAC2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(Br)c1C(O)CN
InChIInChI=1S/C10H15BrN2O/c1-13(2)8-5-3-4-7(11)10(8)9(14)6-12/h3-5,9,14H,6,12H2,1-2H3
InChIKeyFXYYXFHXBONSGY-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol

2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol (PubChem CID 117115338) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
PubChem CID117115338
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(Br)c1C(O)CN
InChIInChI=1S/C10H15BrN2O/c1-13(2)8-5-3-4-7(11)10(8)9(14)6-12/h3-5,9,14H,6,12H2,1-2H3
InChIKeyFXYYXFHXBONSGY-UHFFFAOYSA-N
XLogP1.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
CID 117110973
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one
CID 115113463
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
3-bromo-N,N,2-trimethylaniline
CID 107640986
1-(2,6-dibromophenyl)ethanol
CID 117104086
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
CID 170828083
1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
CID 117114995
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol (CID 117115338) is 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol is CN(C)c1cccc(Br)c1C(O)CN.
What is the InChIKey of 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol?
The InChIKey is FXYYXFHXBONSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13(2)8-5-3-4-7(11)10(8)9(14)6-12/h3-5,9,14H,6,12H2,1-2H3.
What are the key properties of 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol?
2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol has a molecular weight of 259.15 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 117115338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).