2-(3-aminoprop-1-enyl)-3-bromophenol

C9H10BrNO — CID 169464695

IUPAC2-(3-aminoprop-1-enyl)-3-bromophenol
SMILESNCC=Cc1c(O)cccc1Br
InChIInChI=1S/C9H10BrNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2
InChIKeyPJLQIACBGIKVCX-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.13
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-3-bromophenol

2-(3-aminoprop-1-enyl)-3-bromophenol (PubChem CID 169464695) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-3-bromophenol.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-3-bromophenol
PubChem CID169464695
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-(3-aminoprop-1-enyl)-3-bromophenol
SMILESNCC=Cc1c(O)cccc1Br
InChIInChI=1S/C9H10BrNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2
InChIKeyPJLQIACBGIKVCX-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478503
2-(3-aminoprop-1-enyl)-3-fluorophenol
CID 169463203
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
CID 117283636
3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol
CID 170733665
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
3-bromo-2-(2,2-dibromoethenyl)phenol
CID 118005946
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
2-(3-bromoprop-1-enyl)-3-chlorophenol
CID 169476663

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-3-bromophenol?
The IUPAC name of 2-(3-aminoprop-1-enyl)-3-bromophenol (CID 169464695) is 2-(3-aminoprop-1-enyl)-3-bromophenol.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-3-bromophenol?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-3-bromophenol is NCC=Cc1c(O)cccc1Br.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-3-bromophenol?
The InChIKey is PJLQIACBGIKVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2.
What are the key properties of 2-(3-aminoprop-1-enyl)-3-bromophenol?
2-(3-aminoprop-1-enyl)-3-bromophenol has a molecular weight of 228.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-3-bromophenol is sourced from PubChem (CID 169464695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).