4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride

C12H18Br2ClNO — CID 171199992

IUPAC4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
SMILESCCCCC[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C12H17Br2NO.ClH/c1-2-3-4-5-11(15)8-6-9(13)12(16)10(14)7-8;/h6-7,11,16H,2-5,15H2,1H3;1H/t11-;/m1./s1
InChIKeyQGVGMQZFENBXKR-RFVHGSKJSA-N
MW387.54 g/mol
LogP4.92
Rot. Bonds5

About 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride

4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride (PubChem CID 171199992) has the molecular formula C12H18Br2ClNO and a molecular weight of 387.54 g/mol. Its IUPAC name is 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
PubChem CID171199992
Molecular FormulaC12H18Br2ClNO
Molecular Weight387.54 g/mol
Exact Mass384.94
IUPAC Name4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
SMILESCCCCC[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C12H17Br2NO.ClH/c1-2-3-4-5-11(15)8-6-9(13)12(16)10(14)7-8;/h6-7,11,16H,2-5,15H2,1H3;1H/t11-;/m1./s1
InChIKeyQGVGMQZFENBXKR-RFVHGSKJSA-N
XLogP4.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol;hydrochloride
CID 171219511
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol
CID 171219510
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
2-bromo-4-[(1S)-1,5-diaminopentyl]-6-ethoxyphenol;hydrochloride
CID 171227035
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
2-[(1R)-1-aminohexyl]-6-bromophenol;hydrochloride
CID 171202780
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride (CID 171199992) is 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride is CCCCC[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride?
The InChIKey is QGVGMQZFENBXKR-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17Br2NO.ClH/c1-2-3-4-5-11(15)8-6-9(13)12(16)10(14)7-8;/h6-7,11,16H,2-5,15H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride?
4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride has a molecular weight of 387.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171199992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).