3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol

C12H13NO3 — CID 64578022

IUPAC3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
SMILESOCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C12H13NO3/c14-8-12-5-4-11(16-12)7-13-9-2-1-3-10(15)6-9/h1-6,13-15H,7-8H2
InChIKeySKJMDZVYJJSMIX-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.09
Rot. Bonds4

About 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol (PubChem CID 64578022) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
PubChem CID64578022
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
SMILESOCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C12H13NO3/c14-8-12-5-4-11(16-12)7-13-9-2-1-3-10(15)6-9/h1-6,13-15H,7-8H2
InChIKeySKJMDZVYJJSMIX-UHFFFAOYSA-N
XLogP2.09
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
CID 105472420
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol?
The IUPAC name of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol (CID 64578022) is 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol.
What is the SMILES notation for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol?
The canonical SMILES for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol is OCc1ccc(CNc2cccc(O)c2)o1.
What is the InChIKey of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol?
The InChIKey is SKJMDZVYJJSMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-8-12-5-4-11(16-12)7-13-9-2-1-3-10(15)6-9/h1-6,13-15H,7-8H2.
What are the key properties of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol?
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol has a molecular weight of 219.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol is sourced from PubChem (CID 64578022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).