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

C13H18BrNO — CID 84813037

IUPAC3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
SMILESCc1cc(O)cc(C2(N)CCCCC2)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-10(16)8-11(12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeyKLVVFPQJSQSGSX-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.58
Rot. Bonds1

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

3-(1-aminocyclohexyl)-4-bromo-5-methylphenol (PubChem CID 84813037) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
PubChem CID84813037
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
SMILESCc1cc(O)cc(C2(N)CCCCC2)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-10(16)8-11(12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeyKLVVFPQJSQSGSX-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
CID 84774677
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol?
The IUPAC name of 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol (CID 84813037) is 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol?
The canonical SMILES for 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol is Cc1cc(O)cc(C2(N)CCCCC2)c1Br.
What is the InChIKey of 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol?
The InChIKey is KLVVFPQJSQSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-10(16)8-11(12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol?
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol has a molecular weight of 284.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-4-bromo-5-methylphenol is sourced from PubChem (CID 84813037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).