3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride

C11H15BrClNO — CID 171203537

IUPAC3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cc(O)ccc1Br.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-7(2)5-11(13)9-6-8(14)3-4-10(9)12;/h3-4,6,11,14H,1,5,13H2,2H3;1H/t11-;/m1./s1
InChIKeyZCHZFSZAKFVIDR-RFVHGSKJSA-N
MW292.60 g/mol
LogP3.54
Rot. Bonds3

About 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride

3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride (PubChem CID 171203537) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
PubChem CID171203537
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cc(O)ccc1Br.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-7(2)5-11(13)9-6-8(14)3-4-10(9)12;/h3-4,6,11,14H,1,5,13H2,2H3;1H/t11-;/m1./s1
InChIKeyZCHZFSZAKFVIDR-RFVHGSKJSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,5-dibromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171235050
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820
4-[(1S)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171220305
4-[(1R)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171200767
(1S)-1-(2-bromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171217579
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171201666
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-bromophenol;hydrochloride
CID 171224293
1-(2-bromo-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 105004288

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride (CID 171203537) is 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride is C=C(C)C[C@@H](N)c1cc(O)ccc1Br.Cl.
What is the InChIKey of 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride?
The InChIKey is ZCHZFSZAKFVIDR-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c1-7(2)5-11(13)9-6-8(14)3-4-10(9)12;/h3-4,6,11,14H,1,5,13H2,2H3;1H/t11-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride?
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride is sourced from PubChem (CID 171203537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).