2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol

C14H19Br2NO — CID 107740736

IUPAC2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
SMILESCC1(NCc2cc(Br)c(O)c(Br)c2)CCCCC1
InChIInChI=1S/C14H19Br2NO/c1-14(5-3-2-4-6-14)17-9-10-7-11(15)13(18)12(16)8-10/h7-8,17-18H,2-6,9H2,1H3
InChIKeyMGEJDMUDVHRCRV-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.73
Rot. Bonds3

About 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol

2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol (PubChem CID 107740736) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
PubChem CID107740736
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
SMILESCC1(NCc2cc(Br)c(O)c(Br)c2)CCCCC1
InChIInChI=1S/C14H19Br2NO/c1-14(5-3-2-4-6-14)17-9-10-7-11(15)13(18)12(16)8-10/h7-8,17-18H,2-6,9H2,1H3
InChIKeyMGEJDMUDVHRCRV-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol (CID 107740736) is 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol is CC1(NCc2cc(Br)c(O)c(Br)c2)CCCCC1.
What is the InChIKey of 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is MGEJDMUDVHRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-14(5-3-2-4-6-14)17-9-10-7-11(15)13(18)12(16)8-10/h7-8,17-18H,2-6,9H2,1H3.
What are the key properties of 2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol?
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 377.12 g/mol, XLogP of 4.73, 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-[[(1-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 107740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).