2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

C14H20FNO2 — CID 107694066

IUPAC2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCOCC1
InChIInChI=1S/C14H20FNO2/c1-16(9-11-4-6-18-7-5-11)10-12-2-3-14(17)13(15)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyXRRUACKYQZNCAE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.39
Rot. Bonds4

About 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (PubChem CID 107694066) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
PubChem CID107694066
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCOCC1
InChIInChI=1S/C14H20FNO2/c1-16(9-11-4-6-18-7-5-11)10-12-2-3-14(17)13(15)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyXRRUACKYQZNCAE-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 82980475
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
4-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63712028
3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 82930621
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (CID 107694066) is 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is CN(Cc1ccc(O)c(F)c1)CC1CCOCC1.
What is the InChIKey of 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The InChIKey is XRRUACKYQZNCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(9-11-4-6-18-7-5-11)10-12-2-3-14(17)13(15)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol has a molecular weight of 253.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 107694066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).