methyl 4-[1-(4-fluorophenyl)propylamino]butanoate

C14H20FNO2 — CID 54920511

IUPACmethyl 4-[1-(4-fluorophenyl)propylamino]butanoate
SMILESCCC(NCCCC(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-13(11-6-8-12(15)9-7-11)16-10-4-5-14(17)18-2/h6-9,13,16H,3-5,10H2,1-2H3
InChIKeyMGRKWWARQSAWSL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.82
Rot. Bonds7

About methyl 4-[1-(4-fluorophenyl)propylamino]butanoate

methyl 4-[1-(4-fluorophenyl)propylamino]butanoate (PubChem CID 54920511) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 4-[1-(4-fluorophenyl)propylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-fluorophenyl)propylamino]butanoate
PubChem CID54920511
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namemethyl 4-[1-(4-fluorophenyl)propylamino]butanoate
SMILESCCC(NCCCC(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-13(11-6-8-12(15)9-7-11)16-10-4-5-14(17)18-2/h6-9,13,16H,3-5,10H2,1-2H3
InChIKeyMGRKWWARQSAWSL-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.82
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

ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
CID 64580660
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
methyl 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81355699
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 113258069
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-fluorophenyl)propylamino]butanoate?
The IUPAC name of methyl 4-[1-(4-fluorophenyl)propylamino]butanoate (CID 54920511) is methyl 4-[1-(4-fluorophenyl)propylamino]butanoate.
What is the SMILES notation for methyl 4-[1-(4-fluorophenyl)propylamino]butanoate?
The canonical SMILES for methyl 4-[1-(4-fluorophenyl)propylamino]butanoate is CCC(NCCCC(=O)OC)c1ccc(F)cc1.
What is the InChIKey of methyl 4-[1-(4-fluorophenyl)propylamino]butanoate?
The InChIKey is MGRKWWARQSAWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-13(11-6-8-12(15)9-7-11)16-10-4-5-14(17)18-2/h6-9,13,16H,3-5,10H2,1-2H3.
What are the key properties of methyl 4-[1-(4-fluorophenyl)propylamino]butanoate?
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate has a molecular weight of 253.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-fluorophenyl)propylamino]butanoate is sourced from PubChem (CID 54920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).