2-[(4-fluorophenyl)methylamino]ethyl pentanoate

C14H20FNO2 — CID 82533215

IUPAC2-[(4-fluorophenyl)methylamino]ethyl pentanoate
SMILESCCCCC(=O)OCCNCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-3-4-14(17)18-10-9-16-11-12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyUDXAPGLWEWRUMQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.65
Rot. Bonds8

About 2-[(4-fluorophenyl)methylamino]ethyl pentanoate

2-[(4-fluorophenyl)methylamino]ethyl pentanoate (PubChem CID 82533215) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]ethyl pentanoate.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]ethyl pentanoate
PubChem CID82533215
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(4-fluorophenyl)methylamino]ethyl pentanoate
SMILESCCCCC(=O)OCCNCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-3-4-14(17)18-10-9-16-11-12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyUDXAPGLWEWRUMQ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.65
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

1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
CID 82533188
5-O-[2-(4-fluorophenyl)ethyl] 1-O-heptadecyl pentanedioate
CID 91711478
3-[(3,4-difluorophenyl)methylamino]propyl butanoate
CID 82532984
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
2-(benzylamino)ethyl propanoate
CID 10988499
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]butanoate
CID 9053745
2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
4-[[(4-ethoxy-4-oxobutyl)amino]methyl]benzoic acid
CID 64578353

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]ethyl pentanoate?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]ethyl pentanoate (CID 82533215) is 2-[(4-fluorophenyl)methylamino]ethyl pentanoate.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]ethyl pentanoate?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]ethyl pentanoate is CCCCC(=O)OCCNCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]ethyl pentanoate?
The InChIKey is UDXAPGLWEWRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-3-4-14(17)18-10-9-16-11-12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]ethyl pentanoate?
2-[(4-fluorophenyl)methylamino]ethyl pentanoate has a molecular weight of 253.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]ethyl pentanoate is sourced from PubChem (CID 82533215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).