[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine

C15H19F2NO — CID 104509406

IUPAC[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(F)c(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H19F2NO/c16-12-4-1-10(7-13(12)17)8-15(9-18)5-6-19-14(15)11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9,18H2
InChIKeyRPKZUDFGXDXZIV-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.65
Rot. Bonds4

About [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine

[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 104509406) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
PubChem CID104509406
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(F)c(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H19F2NO/c16-12-4-1-10(7-13(12)17)8-15(9-18)5-6-19-14(15)11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9,18H2
InChIKeyRPKZUDFGXDXZIV-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]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

[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
3-(bromomethyl)-3-[(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 114535939
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 106869658
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine (CID 104509406) is [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine is NCC1(Cc2ccc(F)c(F)c2)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is RPKZUDFGXDXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-4-1-10(7-13(12)17)8-15(9-18)5-6-19-14(15)11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9,18H2.
What are the key properties of [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine?
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 267.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 104509406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).