4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol

C13H17ClFNO2 — CID 112652187

IUPAC4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cccc(F)c2Cl)CCOCC1
InChIInChI=1S/C13H17ClFNO2/c14-12-10(2-1-3-11(12)15)8-16-9-13(17)4-6-18-7-5-13/h1-3,16-17H,4-9H2
InChIKeyYWBZDYDHIAFBOA-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.11
Rot. Bonds4

About 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol

4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol (PubChem CID 112652187) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
PubChem CID112652187
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cccc(F)c2Cl)CCOCC1
InChIInChI=1S/C13H17ClFNO2/c14-12-10(2-1-3-11(12)15)8-16-9-13(17)4-6-18-7-5-13/h1-3,16-17H,4-9H2
InChIKeyYWBZDYDHIAFBOA-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
4-[[(3-bromo-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929034
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
4-[[(2,3,6-trichlorophenyl)methylamino]methyl]oxan-4-ol
CID 78928713
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol (CID 112652187) is 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol is OC1(CNCc2cccc(F)c2Cl)CCOCC1.
What is the InChIKey of 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is YWBZDYDHIAFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c14-12-10(2-1-3-11(12)15)8-16-9-13(17)4-6-18-7-5-13/h1-3,16-17H,4-9H2.
What are the key properties of 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol?
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 273.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 112652187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).