1-(2-bromophenyl)-2-(methylamino)ethanol

C9H12BrNO — CID 62774484

IUPAC1-(2-bromophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3
InChIKeyDBBJLKHXJXCZPP-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-bromophenyl)-2-(methylamino)ethanol

1-(2-bromophenyl)-2-(methylamino)ethanol (PubChem CID 62774484) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(methylamino)ethanol
PubChem CID62774484
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(2-bromophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3
InChIKeyDBBJLKHXJXCZPP-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-Ephedrine
CID 5032
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
N-Methylphenylethanolamine
CID 913
d-Ephedrine
CID 9457
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
CID 71290
Benzene, 1-bromo-4-(1-hydroxy-2-isopropylamino)ethyl-
CID 62773144

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(methylamino)ethanol (CID 62774484) is 1-(2-bromophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(methylamino)ethanol is CNCC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(methylamino)ethanol?
The InChIKey is DBBJLKHXJXCZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-6-9(12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(methylamino)ethanol?
1-(2-bromophenyl)-2-(methylamino)ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 62774484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).