4-[(1R)-1-aminopent-4-enyl]-2-bromophenol

C11H14BrNO — CID 171204295

IUPAC4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
SMILESC=CCC[C@@H](N)c1ccc(O)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1
InChIKeyIVMQZHMWLWJJAZ-SNVBAGLBSA-N
MW256.14 g/mol
LogP3.12
Rot. Bonds4

About 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol

4-[(1R)-1-aminopent-4-enyl]-2-bromophenol (PubChem CID 171204295) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol.

Molecular Properties

Compound Name4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
PubChem CID171204295
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
SMILESC=CCC[C@@H](N)c1ccc(O)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1
InChIKeyIVMQZHMWLWJJAZ-SNVBAGLBSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.12
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

(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
CID 171204287
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
[4-[(1R)-1-aminopent-4-enyl]-2-hydroxyphenyl] acetate
CID 171214119
5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol?
The IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol (CID 171204295) is 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol.
What is the SMILES notation for 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol?
The canonical SMILES for 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol is C=CCC[C@@H](N)c1ccc(O)c(Br)c1.
What is the InChIKey of 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol?
The InChIKey is IVMQZHMWLWJJAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-3-4-10(13)8-5-6-11(14)9(12)7-8/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol?
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol has a molecular weight of 256.14 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopent-4-enyl]-2-bromophenol is sourced from PubChem (CID 171204295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).