2-(1-aminocyclohexyl)-4-bromophenol

C12H16BrNO — CID 82625595

IUPAC2-(1-aminocyclohexyl)-4-bromophenol
SMILESNC1(c2cc(Br)ccc2O)CCCCC1
InChIInChI=1S/C12H16BrNO/c13-9-4-5-11(15)10(8-9)12(14)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,14H2
InChIKeyQKLRLSZSFZGXJN-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds1

About 2-(1-aminocyclohexyl)-4-bromophenol

2-(1-aminocyclohexyl)-4-bromophenol (PubChem CID 82625595) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-4-bromophenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-4-bromophenol
PubChem CID82625595
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(1-aminocyclohexyl)-4-bromophenol
SMILESNC1(c2cc(Br)ccc2O)CCCCC1
InChIInChI=1S/C12H16BrNO/c13-9-4-5-11(15)10(8-9)12(14)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,14H2
InChIKeyQKLRLSZSFZGXJN-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
2-(1-aminocyclohexyl)-4-methylsulfanylphenol
CID 117347880
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
CID 167713410
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
6-(1-aminocyclopentyl)-2,3-dihydro-1H-inden-5-ol
CID 117309765
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-4-bromophenol?
The IUPAC name of 2-(1-aminocyclohexyl)-4-bromophenol (CID 82625595) is 2-(1-aminocyclohexyl)-4-bromophenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-4-bromophenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-4-bromophenol is NC1(c2cc(Br)ccc2O)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-4-bromophenol?
The InChIKey is QKLRLSZSFZGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-9-4-5-11(15)10(8-9)12(14)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7,14H2.
What are the key properties of 2-(1-aminocyclohexyl)-4-bromophenol?
2-(1-aminocyclohexyl)-4-bromophenol has a molecular weight of 270.17 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-4-bromophenol is sourced from PubChem (CID 82625595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).