methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate

C15H22FNO3 — CID 107717592

IUPACmethyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
SMILESCCCNC(C)c1ccc(OCCC(=O)OC)cc1F
InChIInChI=1S/C15H22FNO3/c1-4-8-17-11(2)13-6-5-12(10-14(13)16)20-9-7-15(18)19-3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyXOXDIEQWSWZDRF-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.83
Rot. Bonds8

About methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate

methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate (PubChem CID 107717592) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
PubChem CID107717592
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
SMILESCCCNC(C)c1ccc(OCCC(=O)OC)cc1F
InChIInChI=1S/C15H22FNO3/c1-4-8-17-11(2)13-6-5-12(10-14(13)16)20-9-7-15(18)19-3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyXOXDIEQWSWZDRF-UHFFFAOYSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
CID 107717881
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
N-[1-(2-fluoro-4-pent-3-ynoxyphenyl)ethyl]propan-1-amine
CID 107717623
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-[1-[2-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]ethyl]propan-1-amine
CID 107717703
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate (CID 107717592) is methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate is CCCNC(C)c1ccc(OCCC(=O)OC)cc1F.
What is the InChIKey of methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate?
The InChIKey is XOXDIEQWSWZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-8-17-11(2)13-6-5-12(10-14(13)16)20-9-7-15(18)19-3/h5-6,10-11,17H,4,7-9H2,1-3H3.
What are the key properties of methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate?
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate has a molecular weight of 283.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate is sourced from PubChem (CID 107717592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).