N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide

C16H23FN2O2 — CID 115953467

IUPACN-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1cccc(F)c1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-9-18-10-12-5-4-6-14(17)16(12)21-11-15(20)19(2)13-7-8-13/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyBXBFKSMWKMAKJK-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds8

About N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide

N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 115953467) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID115953467
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1cccc(F)c1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-9-18-10-12-5-4-6-14(17)16(12)21-11-15(20)19(2)13-7-8-13/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyBXBFKSMWKMAKJK-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
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

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953491
N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 112608901
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
CID 115953353
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide (CID 115953467) is N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide is CCCNCc1cccc(F)c1OCC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is BXBFKSMWKMAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-9-18-10-12-5-4-6-14(17)16(12)21-11-15(20)19(2)13-7-8-13/h4-6,13,18H,3,7-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide?
N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 294.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 115953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).