4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol

C13H18BrNO2 — CID 106594504

IUPAC4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(Br)cc1NC1CCC(O)CC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-7-2-9(14)8-12(13)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3
InChIKeyWJDWBRKMRANALV-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.17
Rot. Bonds3

About 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol

4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol (PubChem CID 106594504) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
PubChem CID106594504
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(Br)cc1NC1CCC(O)CC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-7-2-9(14)8-12(13)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3
InChIKeyWJDWBRKMRANALV-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol (CID 106594504) is 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol is COc1ccc(Br)cc1NC1CCC(O)CC1.
What is the InChIKey of 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol?
The InChIKey is WJDWBRKMRANALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-13-7-2-9(14)8-12(13)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3.
What are the key properties of 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol?
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).