2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride

C10H15BrClNO2 — CID 171257647

IUPAC2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)cc(Br)c1O.Cl
InChIInChI=1S/C10H14BrNO2.ClH/c1-3-9(12)7-4-6(14-2)5-8(11)10(7)13;/h4-5,9,13H,3,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyIFSSNBACIVTSLO-SBSPUUFOSA-N
MW296.59 g/mol
LogP2.99
Rot. Bonds3

About 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride

2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride (PubChem CID 171257647) has the molecular formula C10H15BrClNO2 and a molecular weight of 296.59 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
PubChem CID171257647
Molecular FormulaC10H15BrClNO2
Molecular Weight296.59 g/mol
Exact Mass295.00
IUPAC Name2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)cc(Br)c1O.Cl
InChIInChI=1S/C10H14BrNO2.ClH/c1-3-9(12)7-4-6(14-2)5-8(11)10(7)13;/h4-5,9,13H,3,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyIFSSNBACIVTSLO-SBSPUUFOSA-N
XLogP2.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.59
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655
methyl (3S)-3-amino-3-(3-bromo-2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171254310
3-[(1S)-1-aminopropyl]-5-bromo-4-hydroxybenzonitrile;hydrochloride
CID 171254443
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171254342
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257666
2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
CID 171197666
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
CID 83887856
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
3-[(1S)-1-aminopropyl]-4-hydroxy-5-methoxybenzonitrile;hydrochloride
CID 171254947

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride (CID 171257647) is 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride is CC[C@@H](N)c1cc(OC)cc(Br)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride?
The InChIKey is IFSSNBACIVTSLO-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14BrNO2.ClH/c1-3-9(12)7-4-6(14-2)5-8(11)10(7)13;/h4-5,9,13H,3,12H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride?
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride has a molecular weight of 296.59 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride is sourced from PubChem (CID 171257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).