2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol

C16H23Br2NO2 — CID 107740849

IUPAC2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
SMILESCC1(C)CCC(O)(CNCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C16H23Br2NO2/c1-15(2)3-5-16(21,6-4-15)10-19-9-11-7-12(17)14(20)13(18)8-11/h7-8,19-21H,3-6,9-10H2,1-2H3
InChIKeyDEACRGDEYJYMTK-UHFFFAOYSA-N
MW421.17 g/mol
LogP4.34
Rot. Bonds4

About 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol

2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol (PubChem CID 107740849) has the molecular formula C16H23Br2NO2 and a molecular weight of 421.17 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
PubChem CID107740849
Molecular FormulaC16H23Br2NO2
Molecular Weight421.17 g/mol
Exact Mass419.01
IUPAC Name2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
SMILESCC1(C)CCC(O)(CNCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C16H23Br2NO2/c1-15(2)3-5-16(21,6-4-15)10-19-9-11-7-12(17)14(20)13(18)8-11/h7-8,19-21H,3-6,9-10H2,1-2H3
InChIKeyDEACRGDEYJYMTK-UHFFFAOYSA-N
XLogP4.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.17
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]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

1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
CID 65117949
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
1-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115129
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol (CID 107740849) is 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol is CC1(C)CCC(O)(CNCc2cc(Br)c(O)c(Br)c2)CC1.
What is the InChIKey of 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is DEACRGDEYJYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2NO2/c1-15(2)3-5-16(21,6-4-15)10-19-9-11-7-12(17)14(20)13(18)8-11/h7-8,19-21H,3-6,9-10H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 421.17 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 107740849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).