4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol

C12H16BrNO2 — CID 171206579

IUPAC4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
SMILESC=CCC[C@@H](N)c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-3-4-5-10(14)8-6-9(13)12(15)11(7-8)16-2/h3,6-7,10,15H,1,4-5,14H2,2H3/t10-/m1/s1
InChIKeyHXPWOQTXCYFHBK-SNVBAGLBSA-N
MW286.17 g/mol
LogP3.13
Rot. Bonds5

About 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol

4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol (PubChem CID 171206579) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
PubChem CID171206579
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
SMILESC=CCC[C@@H](N)c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-3-4-5-10(14)8-6-9(13)12(15)11(7-8)16-2/h3,6-7,10,15H,1,4-5,14H2,2H3/t10-/m1/s1
InChIKeyHXPWOQTXCYFHBK-SNVBAGLBSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-[(1S)-1-aminopent-4-enyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171235008
2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
(1S)-1-(3,4,5-trimethoxyphenyl)pent-4-en-1-amine
CID 171219154
2-[(1S)-1-aminopent-4-enyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232519
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206582
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226138
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol (CID 171206579) is 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol is C=CCC[C@@H](N)c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol?
The InChIKey is HXPWOQTXCYFHBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-4-5-10(14)8-6-9(13)12(15)11(7-8)16-2/h3,6-7,10,15H,1,4-5,14H2,2H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol?
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol has a molecular weight of 286.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 171206579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).