(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol

C14H14BrNO2 — CID 59664764

IUPAC(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
SMILESCc1oc(/C=N/[C@@H](CO)c2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNO2/c1-10-13(15)7-12(18-10)8-16-14(9-17)11-5-3-2-4-6-11/h2-8,14,17H,9H2,1H3/b16-8+/t14-/m0/s1
InChIKeyJJFKUWMTJDADSY-BRSWLGOBSA-N
MW308.18 g/mol
LogP3.50
Rot. Bonds4

About (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol

(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol (PubChem CID 59664764) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
PubChem CID59664764
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
SMILESCc1oc(/C=N/[C@@H](CO)c2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNO2/c1-10-13(15)7-12(18-10)8-16-14(9-17)11-5-3-2-4-6-11/h2-8,14,17H,9H2,1H3/b16-8+/t14-/m0/s1
InChIKeyJJFKUWMTJDADSY-BRSWLGOBSA-N
XLogP3.50
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine
CID 58104667
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 2880053
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151
(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 59664765
(2S)-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40592405
CID 10914573
CID 10914573
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
CID 137254256
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol (CID 59664764) is (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol is Cc1oc(/C=N/[C@@H](CO)c2ccccc2)cc1Br.
What is the InChIKey of (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol?
The InChIKey is JJFKUWMTJDADSY-BRSWLGOBSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-13(15)7-12(18-10)8-16-14(9-17)11-5-3-2-4-6-11/h2-8,14,17H,9H2,1H3/b16-8+/t14-/m0/s1.
What are the key properties of (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol?
(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol has a molecular weight of 308.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol is sourced from PubChem (CID 59664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).