2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol

C15H22BrNO2 — CID 112620098

IUPAC2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCNCc1cc(Br)cc(C)c1OC1CCCCC1O
InChIInChI=1S/C15H22BrNO2/c1-10-7-12(16)8-11(9-17-2)15(10)19-14-6-4-3-5-13(14)18/h7-8,13-14,17-18H,3-6,9H2,1-2H3
InChIKeyNOPJYEIFFOZJHN-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol

2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol (PubChem CID 112620098) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
PubChem CID112620098
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCNCc1cc(Br)cc(C)c1OC1CCCCC1O
InChIInChI=1S/C15H22BrNO2/c1-10-7-12(16)8-11(9-17-2)15(10)19-14-6-4-3-5-13(14)18/h7-8,13-14,17-18H,3-6,9H2,1-2H3
InChIKeyNOPJYEIFFOZJHN-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cycloheptan-1-ol
CID 115961027
2-[4-bromo-2-[(cyclopropylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961626
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961778
1-[5-bromo-3-methyl-2-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 112620014
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
2-(4-bromo-2-methyl-6-nitrophenoxy)cyclopentan-1-ol
CID 79843253
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
CID 60879313
2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60879504
1-[5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylphenyl]propan-2-amine
CID 115962866
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
1-(5-bromo-3-methyl-2-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 112620121

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol (CID 112620098) is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol is CNCc1cc(Br)cc(C)c1OC1CCCCC1O.
What is the InChIKey of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is NOPJYEIFFOZJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-7-12(16)8-11(9-17-2)15(10)19-14-6-4-3-5-13(14)18/h7-8,13-14,17-18H,3-6,9H2,1-2H3.
What are the key properties of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 112620098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).