[5-(anilinomethyl)furan-2-yl]methanol

C12H13NO2 — CID 23130662

IUPAC[5-(anilinomethyl)furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H13NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,13-14H,8-9H2
InChIKeyKDRBIONMWYAWTP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.38
Rot. Bonds4

About [5-(anilinomethyl)furan-2-yl]methanol

[5-(anilinomethyl)furan-2-yl]methanol (PubChem CID 23130662) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [5-(anilinomethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(anilinomethyl)furan-2-yl]methanol
PubChem CID23130662
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[5-(anilinomethyl)furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H13NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,13-14H,8-9H2
InChIKeyKDRBIONMWYAWTP-UHFFFAOYSA-N
XLogP2.38
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(anilinomethyl)furan-2-yl]methanol?
The IUPAC name of [5-(anilinomethyl)furan-2-yl]methanol (CID 23130662) is [5-(anilinomethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(anilinomethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(anilinomethyl)furan-2-yl]methanol is OCc1ccc(CNc2ccccc2)o1.
What is the InChIKey of [5-(anilinomethyl)furan-2-yl]methanol?
The InChIKey is KDRBIONMWYAWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-9-12-7-6-11(15-12)8-13-10-4-2-1-3-5-10/h1-7,13-14H,8-9H2.
What are the key properties of [5-(anilinomethyl)furan-2-yl]methanol?
[5-(anilinomethyl)furan-2-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(anilinomethyl)furan-2-yl]methanol is sourced from PubChem (CID 23130662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).