2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide

C14H20F2N2O2 — CID 79891359

IUPAC2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
SMILESCCCNCc1cc(F)c(OCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-4-5-17-8-10-6-11(15)14(12(16)7-10)20-9-13(19)18(2)3/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyOPJHQEUFTLAXNF-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.93
Rot. Bonds7

About 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide

2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 79891359) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
PubChem CID79891359
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
SMILESCCCNCc1cc(F)c(OCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-4-5-17-8-10-6-11(15)14(12(16)7-10)20-9-13(19)18(2)3/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyOPJHQEUFTLAXNF-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propanoate
CID 79892021
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 79882732
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
N-[(3,5-difluoro-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 79892254
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
4-[2-(dimethylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79888631
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
N-[[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-1-amine
CID 115513284

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide (CID 79891359) is 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide is CCCNCc1cc(F)c(OCC(=O)N(C)C)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is OPJHQEUFTLAXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-4-5-17-8-10-6-11(15)14(12(16)7-10)20-9-13(19)18(2)3/h6-7,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide?
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 286.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 79891359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).