[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol

C13H15NO2 — CID 61422599

IUPAC[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
SMILESCN(Cc1ccoc1)c1ccc(CO)cc1
InChIInChI=1S/C13H15NO2/c1-14(8-12-6-7-16-10-12)13-4-2-11(9-15)3-5-13/h2-7,10,15H,8-9H2,1H3
InChIKeyPHHBZRLXGYXOET-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds4

About [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol

[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol (PubChem CID 61422599) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
PubChem CID61422599
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
SMILESCN(Cc1ccoc1)c1ccc(CO)cc1
InChIInChI=1S/C13H15NO2/c1-14(8-12-6-7-16-10-12)13-4-2-11(9-15)3-5-13/h2-7,10,15H,8-9H2,1H3
InChIKeyPHHBZRLXGYXOET-UHFFFAOYSA-N
XLogP2.41
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The IUPAC name of [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol (CID 61422599) is [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol is CN(Cc1ccoc1)c1ccc(CO)cc1.
What is the InChIKey of [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The InChIKey is PHHBZRLXGYXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14(8-12-6-7-16-10-12)13-4-2-11(9-15)3-5-13/h2-7,10,15H,8-9H2,1H3.
What are the key properties of [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol has a molecular weight of 217.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 61422599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).