2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine

C13H25F2NO — CID 146500778

IUPAC2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine
SMILESCC(C)C1C(C)COCC1CN(C)CC(F)F
InChIInChI=1S/C13H25F2NO/c1-9(2)13-10(3)7-17-8-11(13)5-16(4)6-12(14)15/h9-13H,5-8H2,1-4H3
InChIKeyUONIPGCDXIXZNG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.74
Rot. Bonds5

About 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine

2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine (PubChem CID 146500778) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine
PubChem CID146500778
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine
SMILESCC(C)C1C(C)COCC1CN(C)CC(F)F
InChIInChI=1S/C13H25F2NO/c1-9(2)13-10(3)7-17-8-11(13)5-16(4)6-12(14)15/h9-13H,5-8H2,1-4H3
InChIKeyUONIPGCDXIXZNG-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine 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-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
[1-Pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 19014398
1-Methyl-3-(trifluoromethoxymethyl)piperidine
CID 122664383
3-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226795
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419206
(3S)-3-fluoro-3-(methoxymethyl)-1-methylpiperidine
CID 139364333
7-(2,2-Difluoroethyl)-9-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonane
CID 153474577
3-(Cyclopropylmethoxymethyl)-4,4-difluoro-1-propan-2-ylpiperidine
CID 153592515
1-Methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 154187285
3-(3-Fluorooxan-4-yl)-1-methylazetidine
CID 166469484
1-[[3-(Ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine
CID 166496608
1-[[3-(Ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine
CID 166496627

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine (CID 146500778) is 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine is CC(C)C1C(C)COCC1CN(C)CC(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine?
The InChIKey is UONIPGCDXIXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-9(2)13-10(3)7-17-8-11(13)5-16(4)6-12(14)15/h9-13H,5-8H2,1-4H3.
What are the key properties of 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine?
2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 146500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).