[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol

C14H15F2NO2 — CID 55148136

IUPAC[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C14H15F2NO2/c1-9-11(3-4-19-9)7-17(2)14-12(15)5-10(8-18)6-13(14)16/h3-6,18H,7-8H2,1-2H3
InChIKeyALGBAHPBAPFPJW-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.99
Rot. Bonds4

About [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol

[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (PubChem CID 55148136) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
PubChem CID55148136
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C14H15F2NO2/c1-9-11(3-4-19-9)7-17(2)14-12(15)5-10(8-18)6-13(14)16/h3-6,18H,7-8H2,1-2H3
InChIKeyALGBAHPBAPFPJW-UHFFFAOYSA-N
XLogP2.99
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (CID 55148136) is [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is Cc1occc1CN(C)c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is ALGBAHPBAPFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-9-11(3-4-19-9)7-17(2)14-12(15)5-10(8-18)6-13(14)16/h3-6,18H,7-8H2,1-2H3.
What are the key properties of [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
[3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol has a molecular weight of 267.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 55148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).