2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride

C9H11BrClNO — CID 171202774

IUPAC2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
SMILESC=C[C@@H](N)c1cccc(Br)c1O.Cl
InChIInChI=1S/C9H10BrNO.ClH/c1-2-8(11)6-4-3-5-7(10)9(6)12;/h2-5,8,12H,1,11H2;1H/t8-;/m1./s1
InChIKeyMWWNWRULJSWZJN-DDWIOCJRSA-N
MW264.55 g/mol
LogP2.76
Rot. Bonds2

About 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride

2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride (PubChem CID 171202774) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
PubChem CID171202774
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
SMILESC=C[C@@H](N)c1cccc(Br)c1O.Cl
InChIInChI=1S/C9H10BrNO.ClH/c1-2-8(11)6-4-3-5-7(10)9(6)12;/h2-5,8,12H,1,11H2;1H/t8-;/m1./s1
InChIKeyMWWNWRULJSWZJN-DDWIOCJRSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173
6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
CID 130894325
2-bromo-6-[(1R)-1,3-diaminopropyl]phenol
CID 130869295
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol;hydrochloride
CID 171311559
2-bromo-6-propan-2-ylphenol
CID 14663965

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride (CID 171202774) is 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride is C=C[C@@H](N)c1cccc(Br)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride?
The InChIKey is MWWNWRULJSWZJN-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c1-2-8(11)6-4-3-5-7(10)9(6)12;/h2-5,8,12H,1,11H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride?
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride is sourced from PubChem (CID 171202774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).