[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol

C15H19NO2 — CID 121277789

IUPAC[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol
SMILESCC(C)(C)Nc1ccccc1-c1ccc(CO)o1
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-13-7-5-4-6-12(13)14-9-8-11(10-17)18-14/h4-9,16-17H,10H2,1-3H3
InChIKeyLCOJUMAVBREESH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.65
Rot. Bonds3

About [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol

[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol (PubChem CID 121277789) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol
PubChem CID121277789
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol
SMILESCC(C)(C)Nc1ccccc1-c1ccc(CO)o1
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-13-7-5-4-6-12(13)14-9-8-11(10-17)18-14/h4-9,16-17H,10H2,1-3H3
InChIKeyLCOJUMAVBREESH-UHFFFAOYSA-N
XLogP3.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol?
The IUPAC name of [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol (CID 121277789) is [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol is CC(C)(C)Nc1ccccc1-c1ccc(CO)o1.
What is the InChIKey of [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol?
The InChIKey is LCOJUMAVBREESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)16-13-7-5-4-6-12(13)14-9-8-11(10-17)18-14/h4-9,16-17H,10H2,1-3H3.
What are the key properties of [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol?
[5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol has a molecular weight of 245.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(tert-butylamino)phenyl]furan-2-yl]methanol is sourced from PubChem (CID 121277789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).