[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine

C12H15F2NO2 — CID 79886568

IUPAC[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(F)c(OCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15F2NO2/c13-10-3-9(5-15)4-11(14)12(10)17-7-8-1-2-16-6-8/h3-4,8H,1-2,5-7,15H2
InChIKeyBAMSARIWHHZMIB-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.84
Rot. Bonds4

About [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine

[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine (PubChem CID 79886568) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
PubChem CID79886568
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(F)c(OCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15F2NO2/c13-10-3-9(5-15)4-11(14)12(10)17-7-8-1-2-16-6-8/h3-4,8H,1-2,5-7,15H2
InChIKeyBAMSARIWHHZMIB-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine 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-bromo-5-ethoxy-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61312054
2-[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 107739535
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
[3-nitro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61313011
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
1-[3,5-difluoro-4-(oxan-4-ylmethoxy)phenyl]pyrrolidine
CID 168514291
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine (CID 79886568) is [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine is NCc1cc(F)c(OCC2CCOC2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine?
The InChIKey is BAMSARIWHHZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-10-3-9(5-15)4-11(14)12(10)17-7-8-1-2-16-6-8/h3-4,8H,1-2,5-7,15H2.
What are the key properties of [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine?
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine has a molecular weight of 243.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79886568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).