4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol

C13H20BrNO2 — CID 171206557

IUPAC4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
SMILESCCCCC[C@@H](N)c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H20BrNO2/c1-3-4-5-6-11(15)9-7-10(14)13(16)12(8-9)17-2/h7-8,11,16H,3-6,15H2,1-2H3/t11-/m1/s1
InChIKeyGEINWYUWCCQQKS-LLVKDONJSA-N
MW302.21 g/mol
LogP3.74
Rot. Bonds6

About 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol

4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol (PubChem CID 171206557) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
PubChem CID171206557
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
SMILESCCCCC[C@@H](N)c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H20BrNO2/c1-3-4-5-6-11(15)9-7-10(14)13(16)12(8-9)17-2/h7-8,11,16H,3-6,15H2,1-2H3/t11-/m1/s1
InChIKeyGEINWYUWCCQQKS-LLVKDONJSA-N
XLogP3.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
CID 171199992
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
CID 69291505
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
2-bromo-4-[(1S)-1,5-diaminopentyl]-6-ethoxyphenol;hydrochloride
CID 171227035
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206582
4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
CID 171207508

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol (CID 171206557) is 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol is CCCCC[C@@H](N)c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol?
The InChIKey is GEINWYUWCCQQKS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-4-5-6-11(15)9-7-10(14)13(16)12(8-9)17-2/h7-8,11,16H,3-6,15H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol?
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol has a molecular weight of 302.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 171206557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).