1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine

C13H17F2NO — CID 103986773

IUPAC1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1F)CC1CCOC1
InChIInChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2
InChIKeyNJYRASCOICULRC-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine

1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103986773) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID103986773
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1F)CC1CCOC1
InChIInChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2
InChIKeyNJYRASCOICULRC-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine 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

1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 114856901
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-amine
CID 106868732
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
[1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 102623436
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine (CID 103986773) is 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine is NC(Cc1ccc(F)cc1F)CC1CCOC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is NJYRASCOICULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 241.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103986773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).