(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol

C11H16BrNO — CID 106931818

IUPAC(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
SMILESCc1cc(Br)cc(C)c1NC[C@@H](C)O
InChIInChI=1S/C11H16BrNO/c1-7-4-10(12)5-8(2)11(7)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3/t9-/m1/s1
InChIKeySCHPIIDDYGMYCB-SECBINFHSA-N
MW258.16 g/mol
LogP2.86
Rot. Bonds3

About (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol

(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol (PubChem CID 106931818) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
PubChem CID106931818
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
SMILESCc1cc(Br)cc(C)c1NC[C@@H](C)O
InChIInChI=1S/C11H16BrNO/c1-7-4-10(12)5-8(2)11(7)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3/t9-/m1/s1
InChIKeySCHPIIDDYGMYCB-SECBINFHSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol 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

(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
CID 63490045
1-(4-bromo-2,6-dimethylanilino)-3-butoxypropan-2-ol
CID 107262525
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
2-[(4-bromo-2,6-dimethylanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369571
3-(4-bromo-2-methyl-6-nitroanilino)propane-1,2-diol
CID 168593383
N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525062

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol (CID 106931818) is (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol is Cc1cc(Br)cc(C)c1NC[C@@H](C)O.
What is the InChIKey of (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol?
The InChIKey is SCHPIIDDYGMYCB-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-4-10(12)5-8(2)11(7)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol?
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol is sourced from PubChem (CID 106931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).