1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine

C13H17F2NO — CID 113329497

IUPAC1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C13H17F2NO/c1-16-8-11-5-6-17-12(11)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13,16H,5-6,8H2,1H3
InChIKeyFSDBZNYSYQCMIJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine

1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 113329497) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID113329497
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cccc(C(F)F)c1
InChIInChI=1S/C13H17F2NO/c1-16-8-11-5-6-17-12(11)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13,16H,5-6,8H2,1H3
InChIKeyFSDBZNYSYQCMIJ-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine 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

N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
CID 128999830

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine (CID 113329497) is 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine is CNCC1CCOC1c1cccc(C(F)F)c1.
What is the InChIKey of 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is FSDBZNYSYQCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-8-11-5-6-17-12(11)9-3-2-4-10(7-9)13(14)15/h2-4,7,11-13,16H,5-6,8H2,1H3.
What are the key properties of 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine?
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 113329497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).