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

C13H18FNO2 — CID 107693985

IUPAC2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCCO1
InChIInChI=1S/C13H18FNO2/c1-15(9-11-3-2-6-17-11)8-10-4-5-13(16)12(14)7-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyIPYWLSPXHCZKBX-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.14
Rot. Bonds4

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

2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (PubChem CID 107693985) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
PubChem CID107693985
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(F)c1)CC1CCCO1
InChIInChI=1S/C13H18FNO2/c1-15(9-11-3-2-6-17-11)8-10-4-5-13(16)12(14)7-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyIPYWLSPXHCZKBX-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 107879242
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
CID 51497042
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (CID 107693985) is 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol is CN(Cc1ccc(O)c(F)c1)CC1CCCO1.
What is the InChIKey of 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is IPYWLSPXHCZKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15(9-11-3-2-6-17-11)8-10-4-5-13(16)12(14)7-10/h4-5,7,11,16H,2-3,6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.14, 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(oxolan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 107693985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).