3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol

C13H18BrNO2 — CID 117483401

IUPAC3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(C2(N)CCCCC2)ccc(Br)c1O
InChIInChI=1S/C13H18BrNO2/c1-17-12-9(5-6-10(14)11(12)16)13(15)7-3-2-4-8-13/h5-6,16H,2-4,7-8,15H2,1H3
InChIKeyILWZDWWYKZVGCI-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.28
Rot. Bonds2

About 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol

3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol (PubChem CID 117483401) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
PubChem CID117483401
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(C2(N)CCCCC2)ccc(Br)c1O
InChIInChI=1S/C13H18BrNO2/c1-17-12-9(5-6-10(14)11(12)16)13(15)7-3-2-4-8-13/h5-6,16H,2-4,7-8,15H2,1H3
InChIKeyILWZDWWYKZVGCI-UHFFFAOYSA-N
XLogP3.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
CID 82622115
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol?
The IUPAC name of 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol (CID 117483401) is 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol?
The canonical SMILES for 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol is COc1c(C2(N)CCCCC2)ccc(Br)c1O.
What is the InChIKey of 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol?
The InChIKey is ILWZDWWYKZVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-12-9(5-6-10(14)11(12)16)13(15)7-3-2-4-8-13/h5-6,16H,2-4,7-8,15H2,1H3.
What are the key properties of 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol?
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol has a molecular weight of 300.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol is sourced from PubChem (CID 117483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).