4-[(furan-2-ylmethylamino)methyl]phenol

C12H13NO2 — CID 4279464

IUPAC4-[(furan-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C12H13NO2/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
InChIKeyJBPCVNXGKWPNRG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.28
Rot. Bonds4

About 4-[(furan-2-ylmethylamino)methyl]phenol

4-[(furan-2-ylmethylamino)methyl]phenol (PubChem CID 4279464) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(furan-2-ylmethylamino)methyl]phenol
PubChem CID4279464
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-[(furan-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C12H13NO2/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
InChIKeyJBPCVNXGKWPNRG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(furan-2-ylmethylamino)methyl]phenol (CID 4279464) is 4-[(furan-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(furan-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(furan-2-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2ccco2)cc1.
What is the InChIKey of 4-[(furan-2-ylmethylamino)methyl]phenol?
The InChIKey is JBPCVNXGKWPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2.
What are the key properties of 4-[(furan-2-ylmethylamino)methyl]phenol?
4-[(furan-2-ylmethylamino)methyl]phenol has a molecular weight of 203.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 4279464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).