[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol

C12H12BrNO2 — CID 103818101

IUPAC[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1occc1Br
InChIInChI=1S/C12H12BrNO2/c13-10-5-6-16-12(10)7-14-11-4-2-1-3-9(11)8-15/h1-6,14-15H,7-8H2
InChIKeyMWCHSQIMGCZQFF-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.15
Rot. Bonds4

About [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol

[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol (PubChem CID 103818101) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
PubChem CID103818101
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1occc1Br
InChIInChI=1S/C12H12BrNO2/c13-10-5-6-16-12(10)7-14-11-4-2-1-3-9(11)8-15/h1-6,14-15H,7-8H2
InChIKeyMWCHSQIMGCZQFF-UHFFFAOYSA-N
XLogP3.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
N-[(3-bromofuran-2-yl)methyl]-2-nitroaniline
CID 106885203
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethylsulfanyl)aniline
CID 106885053
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
4-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol
CID 103818098
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol (CID 103818101) is [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol is OCc1ccccc1NCc1occc1Br.
What is the InChIKey of [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol?
The InChIKey is MWCHSQIMGCZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-10-5-6-16-12(10)7-14-11-4-2-1-3-9(11)8-15/h1-6,14-15H,7-8H2.
What are the key properties of [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol?
[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol has a molecular weight of 282.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 103818101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).