3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide

C15H22F2N2O2 — CID 79882732

IUPAC3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCCNCc1cc(F)c(OCCC(=O)NCC)c(F)c1
InChIInChI=1S/C15H22F2N2O2/c1-3-6-18-10-11-8-12(16)15(13(17)9-11)21-7-5-14(20)19-4-2/h8-9,18H,3-7,10H2,1-2H3,(H,19,20)
InChIKeySUZWSVMMQNWILQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.37
Rot. Bonds9

About 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide

3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide (PubChem CID 79882732) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
PubChem CID79882732
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCCNCc1cc(F)c(OCCC(=O)NCC)c(F)c1
InChIInChI=1S/C15H22F2N2O2/c1-3-6-18-10-11-8-12(16)15(13(17)9-11)21-7-5-14(20)19-4-2/h8-9,18H,3-7,10H2,1-2H3,(H,19,20)
InChIKeySUZWSVMMQNWILQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
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]propan-1-ol
CID 79891940
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 79891359
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62324371
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
4-[3-(ethylamino)-3-oxopropoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921179
N-[[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-1-amine
CID 115513284
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
N-[[3,5-difluoro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032859
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide (CID 79882732) is 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide is CCCNCc1cc(F)c(OCCC(=O)NCC)c(F)c1.
What is the InChIKey of 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The InChIKey is SUZWSVMMQNWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-6-18-10-11-8-12(16)15(13(17)9-11)21-7-5-14(20)19-4-2/h8-9,18H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide has a molecular weight of 300.35 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 79882732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).