2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

C16H25FN2O2 — CID 107687402

IUPAC2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OCC(=O)N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-8-18-10-13-6-7-15(14(17)9-13)21-11-16(20)19(4)12(2)3/h6-7,9,12,18H,5,8,10-11H2,1-4H3
InChIKeyNWVBIPITHFMIMR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 107687402) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID107687402
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OCC(=O)N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-8-18-10-13-6-7-15(14(17)9-13)21-11-16(20)19(4)12(2)3/h6-7,9,12,18H,5,8,10-11H2,1-4H3
InChIKeyNWVBIPITHFMIMR-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.57
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-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 79891359
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
CID 107687315
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (CID 107687402) is 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is CCCNCc1ccc(OCC(=O)N(C)C(C)C)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NWVBIPITHFMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-8-18-10-13-6-7-15(14(17)9-13)21-11-16(20)19(4)12(2)3/h6-7,9,12,18H,5,8,10-11H2,1-4H3.
What are the key properties of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 296.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107687402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).