1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate

C13H18FNO3 — CID 82532910

IUPAC1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)CNCc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-10(18-13(16)9-17-2)7-15-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMXONMCZAFZIQSQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.49
Rot. Bonds7

About 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate

1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate (PubChem CID 82532910) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
PubChem CID82532910
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)CNCc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-10(18-13(16)9-17-2)7-15-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMXONMCZAFZIQSQ-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
CID 82533321
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
1-(benzylamino)propan-2-yl propanoate
CID 82533604
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
CID 82533188
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate?
The IUPAC name of 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate (CID 82532910) is 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate.
What is the SMILES notation for 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate?
The canonical SMILES for 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate is COCC(=O)OC(C)CNCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate?
The InChIKey is MXONMCZAFZIQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10(18-13(16)9-17-2)7-15-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate?
1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate has a molecular weight of 255.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate is sourced from PubChem (CID 82532910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).