2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol

C15H17F2NO3 — CID 79832671

IUPAC2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
SMILESOc1c(F)cc(CNCCCOCc2ccco2)cc1F
InChIInChI=1S/C15H17F2NO3/c16-13-7-11(8-14(17)15(13)19)9-18-4-2-5-20-10-12-3-1-6-21-12/h1,3,6-8,18-19H,2,4-5,9-10H2
InChIKeyWJYZMFWOMZHKQR-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.96
Rot. Bonds8

About 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol

2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol (PubChem CID 79832671) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
PubChem CID79832671
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
SMILESOc1c(F)cc(CNCCCOCc2ccco2)cc1F
InChIInChI=1S/C15H17F2NO3/c16-13-7-11(8-14(17)15(13)19)9-18-4-2-5-20-10-12-3-1-6-21-12/h1,3,6-8,18-19H,2,4-5,9-10H2
InChIKeyWJYZMFWOMZHKQR-UHFFFAOYSA-N
XLogP2.96
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 78959610
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 79420297
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol (CID 79832671) is 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol is Oc1c(F)cc(CNCCCOCc2ccco2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The InChIKey is WJYZMFWOMZHKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-13-7-11(8-14(17)15(13)19)9-18-4-2-5-20-10-12-3-1-6-21-12/h1,3,6-8,18-19H,2,4-5,9-10H2.
What are the key properties of 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol has a molecular weight of 297.30 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol is sourced from PubChem (CID 79832671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).