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

C12H15ClFNO2 — CID 113338499

IUPAC3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-10-5-9(1-2-11(10)14)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyLGDRPGAQTJEYTF-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.72
Rot. Bonds4

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

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 113338499) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID113338499
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-10-5-9(1-2-11(10)14)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyLGDRPGAQTJEYTF-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol (CID 113338499) is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2ccc(F)c(Cl)c2)CCOC1.
What is the InChIKey of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is LGDRPGAQTJEYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-10-5-9(1-2-11(10)14)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2.
What are the key properties of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 259.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 113338499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).