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

C10H14Br2ClNO2 — CID 171197693

IUPAC2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H13Br2NO2.ClH/c11-6-4-7(9(13)2-1-3-14)10(15)8(12)5-6;/h4-5,9,14-15H,1-3,13H2;1H/t9-;/m1./s1
InChIKeyGYBYRBVRENNYME-SBSPUUFOSA-N
MW375.49 g/mol
LogP3.11
Rot. Bonds4

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

2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride (PubChem CID 171197693) has the molecular formula C10H14Br2ClNO2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
PubChem CID171197693
Molecular FormulaC10H14Br2ClNO2
Molecular Weight375.49 g/mol
Exact Mass372.91
IUPAC Name2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H13Br2NO2.ClH/c11-6-4-7(9(13)2-1-3-14)10(15)8(12)5-6;/h4-5,9,14-15H,1-3,13H2;1H/t9-;/m1./s1
InChIKeyGYBYRBVRENNYME-SBSPUUFOSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
CID 171197666
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromophenol;hydrochloride
CID 171217191
2-[(1R)-1-amino-4-hydroxybutyl]-4-bromo-6-methoxyphenol
CID 171212914
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013
2-[(1S)-1-amino-4-hydroxybutyl]-4-bromophenol
CID 171218170
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
2-[(1S)-1-amino-4-hydroxybutyl]-5-bromophenol
CID 171224302
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride (CID 171197693) is 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride is Cl.N[C@H](CCCO)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride?
The InChIKey is GYBYRBVRENNYME-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13Br2NO2.ClH/c11-6-4-7(9(13)2-1-3-14)10(15)8(12)5-6;/h4-5,9,14-15H,1-3,13H2;1H/t9-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride?
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride has a molecular weight of 375.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171197693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).