(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine

C10H18BrN3O — CID 71718543

IUPAC(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
SMILESC[C@H](CCOc1nc(Br)cn1C)N(C)C
InChIInChI=1S/C10H18BrN3O/c1-8(13(2)3)5-6-15-10-12-9(11)7-14(10)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyBLXVYQSFONFXJI-MRVPVSSYSA-N
MW276.18 g/mol
LogP1.90
Rot. Bonds5

About (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine

(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine (PubChem CID 71718543) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
PubChem CID71718543
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
SMILESC[C@H](CCOc1nc(Br)cn1C)N(C)C
InChIInChI=1S/C10H18BrN3O/c1-8(13(2)3)5-6-15-10-12-9(11)7-14(10)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyBLXVYQSFONFXJI-MRVPVSSYSA-N
XLogP1.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The IUPAC name of (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine (CID 71718543) is (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The canonical SMILES for (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine is C[C@H](CCOc1nc(Br)cn1C)N(C)C.
What is the InChIKey of (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The InChIKey is BLXVYQSFONFXJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-8(13(2)3)5-6-15-10-12-9(11)7-14(10)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
(2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine has a molecular weight of 276.18 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-bromo-1-methylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 71718543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).