[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol

C14H20FNO2 — CID 114067505

IUPAC[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCOCC1)c1c(F)cccc1CO
InChIInChI=1S/C14H20FNO2/c1-16(9-11-5-7-18-8-6-11)14-12(10-17)3-2-4-13(14)15/h2-4,11,17H,5-10H2,1H3
InChIKeyBZFIVMRQRYDCNE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds4

About [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol

[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol (PubChem CID 114067505) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
PubChem CID114067505
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCOCC1)c1c(F)cccc1CO
InChIInChI=1S/C14H20FNO2/c1-16(9-11-5-7-18-8-6-11)14-12(10-17)3-2-4-13(14)15/h2-4,11,17H,5-10H2,1H3
InChIKeyBZFIVMRQRYDCNE-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol (CID 114067505) is [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol is CN(CC1CCOCC1)c1c(F)cccc1CO.
What is the InChIKey of [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The InChIKey is BZFIVMRQRYDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(9-11-5-7-18-8-6-11)14-12(10-17)3-2-4-13(14)15/h2-4,11,17H,5-10H2,1H3.
What are the key properties of [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 114067505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).