2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol

C15H21Br2NO — CID 107740899

IUPAC2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CCCCC1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H21Br2NO/c1-15(2)6-4-3-5-13(15)18-9-10-7-11(16)14(19)12(17)8-10/h7-8,13,18-19H,3-6,9H2,1-2H3
InChIKeyOVLPRNPGZLBHIN-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.98
Rot. Bonds3

About 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol

2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol (PubChem CID 107740899) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
PubChem CID107740899
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CCCCC1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H21Br2NO/c1-15(2)6-4-3-5-13(15)18-9-10-7-11(16)14(19)12(17)8-10/h7-8,13,18-19H,3-6,9H2,1-2H3
InChIKeyOVLPRNPGZLBHIN-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol with MolForge

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832369
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866711
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736
N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104797025
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861903

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol (CID 107740899) is 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol is CC1(C)CCCCC1NCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol?
The InChIKey is OVLPRNPGZLBHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-15(2)6-4-3-5-13(15)18-9-10-7-11(16)14(19)12(17)8-10/h7-8,13,18-19H,3-6,9H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol?
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol has a molecular weight of 391.15 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 107740899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).