(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol

C11H12BrNO2 — CID 102654835

IUPAC(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol
SMILESNc1ccc(Br)cc1C(O)C1=CCCO1
InChIInChI=1S/C11H12BrNO2/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h2-4,6,11,14H,1,5,13H2
InChIKeySZAKKNAIMOFGTK-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.37
Rot. Bonds2

About (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol

(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol (PubChem CID 102654835) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol
PubChem CID102654835
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol
SMILESNc1ccc(Br)cc1C(O)C1=CCCO1
InChIInChI=1S/C11H12BrNO2/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h2-4,6,11,14H,1,5,13H2
InChIKeySZAKKNAIMOFGTK-UHFFFAOYSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)ethanol
CID 68865052
2,3-dihydrofuran-5-yl-(2-fluorophenyl)methanol
CID 102650541
(4-bromo-3-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102653924
(3-bromo-4-methylphenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102650836
(3-bromofuran-2-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 130174038
2,3-dihydrofuran-5-yl(phenyl)methanol
CID 102650514
(2,5-dichlorothiophen-3-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 107969966
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
2-(3-bromophenyl)sulfanyl-1-(2,3-dihydrofuran-5-yl)ethanol
CID 102654730
2,3-dihydrofuran-5-yl-(3-methyl-4-pyridinyl)methanol
CID 102654829

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol?
The IUPAC name of (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol (CID 102654835) is (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol?
The canonical SMILES for (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol is Nc1ccc(Br)cc1C(O)C1=CCCO1.
What is the InChIKey of (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol?
The InChIKey is SZAKKNAIMOFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h2-4,6,11,14H,1,5,13H2.
What are the key properties of (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol?
(2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol has a molecular weight of 270.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2,3-dihydrofuran-5-yl)methanol is sourced from PubChem (CID 102654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).