2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol

C13H19Br2NO — CID 107740831

IUPAC2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
SMILESCC(C)C(C)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H19Br2NO/c1-8(2)9(3)6-16-7-10-4-11(14)13(17)12(15)5-10/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyUSRXFCKMJNAWAC-UHFFFAOYSA-N
MW365.11 g/mol
LogP4.30
Rot. Bonds5

About 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol

2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol (PubChem CID 107740831) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
PubChem CID107740831
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC Name2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
SMILESCC(C)C(C)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H19Br2NO/c1-8(2)9(3)6-16-7-10-4-11(14)13(17)12(15)5-10/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyUSRXFCKMJNAWAC-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol 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

2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570670
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol
CID 103602726
2,6-dibromo-4-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 113218805
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide
CID 103602849

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol (CID 107740831) is 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol is CC(C)C(C)CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol?
The InChIKey is USRXFCKMJNAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c1-8(2)9(3)6-16-7-10-4-11(14)13(17)12(15)5-10/h4-5,8-9,16-17H,6-7H2,1-3H3.
What are the key properties of 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol?
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol has a molecular weight of 365.11 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol is sourced from PubChem (CID 107740831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).