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

C13H18BrNO — CID 84813036

IUPAC5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
SMILESCc1cc(C2(N)CCCCC2)cc(O)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-10(8-11(16)12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeySMUJBBXPWMKXBJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.58
Rot. Bonds1

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

5-(1-aminocyclohexyl)-2-bromo-3-methylphenol (PubChem CID 84813036) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
PubChem CID84813036
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
SMILESCc1cc(C2(N)CCCCC2)cc(O)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-10(8-11(16)12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeySMUJBBXPWMKXBJ-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)-3-methylbenzene-1,2-diol
CID 117316475
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296190
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
CID 117332825
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol?
The IUPAC name of 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol (CID 84813036) is 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol.
What is the SMILES notation for 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol?
The canonical SMILES for 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol is Cc1cc(C2(N)CCCCC2)cc(O)c1Br.
What is the InChIKey of 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol?
The InChIKey is SMUJBBXPWMKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-10(8-11(16)12(9)14)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol?
5-(1-aminocyclohexyl)-2-bromo-3-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 5-(1-aminocyclohexyl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84813036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).