[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol

C14H13F2NO — CID 43715013

IUPAC[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-2-6-14(16)12(13)8-17-11-4-1-3-10(7-11)9-18/h1-7,17-18H,8-9H2
InChIKeyUWRQYVFTGMXWES-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.07
Rot. Bonds4

About [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol

[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol (PubChem CID 43715013) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol
PubChem CID43715013
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-2-6-14(16)12(13)8-17-11-4-1-3-10(7-11)9-18/h1-7,17-18H,8-9H2
InChIKeyUWRQYVFTGMXWES-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol (CID 43715013) is [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol is OCc1cccc(NCc2c(F)cccc2F)c1.
What is the InChIKey of [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol?
The InChIKey is UWRQYVFTGMXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-13-5-2-6-14(16)12(13)8-17-11-4-1-3-10(7-11)9-18/h1-7,17-18H,8-9H2.
What are the key properties of [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol?
[3-[(2,6-difluorophenyl)methylamino]phenyl]methanol has a molecular weight of 249.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43715013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).