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

C11H16Br2ClNO — CID 171197666

IUPAC2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
SMILESCCCC[C@@H](N)c1cc(Br)cc(Br)c1O.Cl
InChIInChI=1S/C11H15Br2NO.ClH/c1-2-3-4-10(14)8-5-7(12)6-9(13)11(8)15;/h5-6,10,15H,2-4,14H2,1H3;1H/t10-;/m1./s1
InChIKeyZATKHYVJTMJBIM-HNCPQSOCSA-N
MW373.52 g/mol
LogP4.53
Rot. Bonds4

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

2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride (PubChem CID 171197666) has the molecular formula C11H16Br2ClNO and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
PubChem CID171197666
Molecular FormulaC11H16Br2ClNO
Molecular Weight373.52 g/mol
Exact Mass370.93
IUPAC Name2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
SMILESCCCC[C@@H](N)c1cc(Br)cc(Br)c1O.Cl
InChIInChI=1S/C11H15Br2NO.ClH/c1-2-3-4-10(14)8-5-7(12)6-9(13)11(8)15;/h5-6,10,15H,2-4,14H2,1H3;1H/t10-;/m1./s1
InChIKeyZATKHYVJTMJBIM-HNCPQSOCSA-N
XLogP4.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.53
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-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromophenol;hydrochloride
CID 171217191
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
2-[(1S)-1-aminopentyl]-4-bromo-6-nitrophenol
CID 171234390
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
2-[(1R)-1-aminohexyl]-6-bromophenol;hydrochloride
CID 171202780
4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
CID 171199992
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride (CID 171197666) is 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride is CCCC[C@@H](N)c1cc(Br)cc(Br)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride?
The InChIKey is ZATKHYVJTMJBIM-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15Br2NO.ClH/c1-2-3-4-10(14)8-5-7(12)6-9(13)11(8)15;/h5-6,10,15H,2-4,14H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride?
2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride has a molecular weight of 373.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171197666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).