4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol

C14H20BrNO2 — CID 117499856

IUPAC4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(C2(N)CCCCC2)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9-8-10(17)13(18-2)12(15)11(9)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyAUDDHJZPALKYQR-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.59
Rot. Bonds2

About 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol

4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol (PubChem CID 117499856) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
PubChem CID117499856
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(C2(N)CCCCC2)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9-8-10(17)13(18-2)12(15)11(9)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyAUDDHJZPALKYQR-UHFFFAOYSA-N
XLogP3.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296190
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol?
The IUPAC name of 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol (CID 117499856) is 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol is COc1c(O)cc(C)c(C2(N)CCCCC2)c1Br.
What is the InChIKey of 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol?
The InChIKey is AUDDHJZPALKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-8-10(17)13(18-2)12(15)11(9)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3.
What are the key properties of 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol?
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol has a molecular weight of 314.22 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol is sourced from PubChem (CID 117499856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).