2-amino-6-(3-bromoprop-1-enyl)phenol

C9H10BrNO — CID 169475273

IUPAC2-amino-6-(3-bromoprop-1-enyl)phenol
SMILESNc1cccc(C=CCBr)c1O
InChIInChI=1S/C9H10BrNO/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5,12H,6,11H2
InChIKeyWYFDGSCQINWNPV-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-6-(3-bromoprop-1-enyl)phenol

2-amino-6-(3-bromoprop-1-enyl)phenol (PubChem CID 169475273) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-amino-6-(3-bromoprop-1-enyl)phenol.

Molecular Properties

Compound Name2-amino-6-(3-bromoprop-1-enyl)phenol
PubChem CID169475273
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-amino-6-(3-bromoprop-1-enyl)phenol
SMILESNc1cccc(C=CCBr)c1O
InChIInChI=1S/C9H10BrNO/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5,12H,6,11H2
InChIKeyWYFDGSCQINWNPV-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
methyl 2-amino-3-(3-bromoprop-1-enyl)benzoate
CID 169476085
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
[2-(3-bromoprop-1-enyl)phenyl]thiourea
CID 169475787
2-(3-aminoprop-1-enyl)aniline
CID 67152713
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2-(3-bromoprop-1-enyl)-3-chlorophenol
CID 169476663
4-(3-bromoprop-1-enyl)isoquinolin-1-amine
CID 169476161
1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-bromoprop-1-enyl)phenol?
The IUPAC name of 2-amino-6-(3-bromoprop-1-enyl)phenol (CID 169475273) is 2-amino-6-(3-bromoprop-1-enyl)phenol.
What is the SMILES notation for 2-amino-6-(3-bromoprop-1-enyl)phenol?
The canonical SMILES for 2-amino-6-(3-bromoprop-1-enyl)phenol is Nc1cccc(C=CCBr)c1O.
What is the InChIKey of 2-amino-6-(3-bromoprop-1-enyl)phenol?
The InChIKey is WYFDGSCQINWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5,12H,6,11H2.
What are the key properties of 2-amino-6-(3-bromoprop-1-enyl)phenol?
2-amino-6-(3-bromoprop-1-enyl)phenol has a molecular weight of 228.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-bromoprop-1-enyl)phenol is sourced from PubChem (CID 169475273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).