(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol

C10H14BrNO — CID 130641805

IUPAC(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cc(C)cc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-7-3-8(5-9(11)4-7)10(6-13)12-2/h3-5,10,12-13H,6H2,1-2H3/t10-/m1/s1
InChIKeyNCZMYQFCRAMLHP-SNVBAGLBSA-N
MW244.13 g/mol
LogP2.01
Rot. Bonds3

About (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol

(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol (PubChem CID 130641805) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
PubChem CID130641805
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cc(C)cc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-7-3-8(5-9(11)4-7)10(6-13)12-2/h3-5,10,12-13H,6H2,1-2H3/t10-/m1/s1
InChIKeyNCZMYQFCRAMLHP-SNVBAGLBSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-[2-hydroxy-1-(methylamino)ethyl]benzonitrile
CID 130041432
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289
2-(3-bromo-5-methylphenyl)-2-fluoroethanol
CID 178200098
1-(3-bromo-5-methylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820343
1-(3-bromo-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849378
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,3-diol
CID 55276021
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,2,3-triol
CID 55276777
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(3-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol (CID 130641805) is (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol is CN[C@H](CO)c1cc(C)cc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is NCZMYQFCRAMLHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-3-8(5-9(11)4-7)10(6-13)12-2/h3-5,10,12-13H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol?
(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 244.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 130641805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).