N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine

C14H19F2NO — CID 106534593

IUPACN-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO/c1-2-4-17-9-10-3-5-18-14(10)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3
InChIKeyVDYUEEDWUONNLX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds5

About N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 106534593) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID106534593
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO/c1-2-4-17-9-10-3-5-18-14(10)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3
InChIKeyVDYUEEDWUONNLX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine (CID 106534593) is N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is VDYUEEDWUONNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-4-17-9-10-3-5-18-14(10)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,2-5,9H2,1H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).