[5-(3-amino-4-methylphenyl)furan-2-yl]methanol

C12H13NO2 — CID 2987173

IUPAC[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
SMILESCc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C12H13NO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-6,14H,7,13H2,1H3
InChIKeyJCVNEKSUAUHIEG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.33
Rot. Bonds2

About [5-(3-amino-4-methylphenyl)furan-2-yl]methanol

[5-(3-amino-4-methylphenyl)furan-2-yl]methanol (PubChem CID 2987173) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [5-(3-amino-4-methylphenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
PubChem CID2987173
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
SMILESCc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C12H13NO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-6,14H,7,13H2,1H3
InChIKeyJCVNEKSUAUHIEG-UHFFFAOYSA-N
XLogP2.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-(3-amino-4-methylphenyl)furan-2-yl]methanol 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

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
CID 107622909
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
CID 61228246
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
5-(4-aminophenyl)-2-methylaniline
CID 68788638

Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-4-methylphenyl)furan-2-yl]methanol?
The IUPAC name of [5-(3-amino-4-methylphenyl)furan-2-yl]methanol (CID 2987173) is [5-(3-amino-4-methylphenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(3-amino-4-methylphenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(3-amino-4-methylphenyl)furan-2-yl]methanol is Cc1ccc(-c2ccc(CO)o2)cc1N.
What is the InChIKey of [5-(3-amino-4-methylphenyl)furan-2-yl]methanol?
The InChIKey is JCVNEKSUAUHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-6,14H,7,13H2,1H3.
What are the key properties of [5-(3-amino-4-methylphenyl)furan-2-yl]methanol?
[5-(3-amino-4-methylphenyl)furan-2-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-methylphenyl)furan-2-yl]methanol is sourced from PubChem (CID 2987173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).