1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate

C15H22FNO2 — CID 82533188

IUPAC1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)CNCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-5-15(18)19-12(2)10-17-11-13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyFLVQPJIIORUWPA-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.04
Rot. Bonds8

About 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate

1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate (PubChem CID 82533188) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
PubChem CID82533188
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)CNCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-5-15(18)19-12(2)10-17-11-13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyFLVQPJIIORUWPA-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
CID 82533321
2-[(4-fluorophenyl)methylamino]ethyl pentanoate
CID 82533215
1-(benzylamino)propan-2-yl propanoate
CID 82533604
1-(butylamino)propan-2-yl 4-fluorobenzoate
CID 82532294
1-[(4-methylphenyl)methylamino]propan-2-yl 3-methylbutanoate
CID 82533507
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
CID 132573494
[(2S)-1-(4-bromophenyl)propan-2-yl] pentanoate
CID 71427093
1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
CID 82532910
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
CID 83960594
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-acetamidohexanoate
CID 55734617

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate (CID 82533188) is 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate is CCCCC(=O)OC(C)CNCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate?
The InChIKey is FLVQPJIIORUWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-4-5-15(18)19-12(2)10-17-11-13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate?
1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate has a molecular weight of 267.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate is sourced from PubChem (CID 82533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).