methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate

C14H18FNO3 — CID 112609795

IUPACmethyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
SMILESCOC(=O)CCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H18FNO3/c1-18-13(17)7-8-19-14-10(3-2-4-12(14)15)9-16-11-5-6-11/h2-4,11,16H,5-9H2,1H3
InChIKeyNMGNEIPPHIAXIO-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.02
Rot. Bonds7

About methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate

methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate (PubChem CID 112609795) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
PubChem CID112609795
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
SMILESCOC(=O)CCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H18FNO3/c1-18-13(17)7-8-19-14-10(3-2-4-12(14)15)9-16-11-5-6-11/h2-4,11,16H,5-9H2,1H3
InChIKeyNMGNEIPPHIAXIO-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
3-fluoro-2-(3-methoxy-3-oxopropoxy)benzoic acid
CID 112612253
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate?
The IUPAC name of methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate (CID 112609795) is methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate?
The canonical SMILES for methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate is COC(=O)CCOc1c(F)cccc1CNC1CC1.
What is the InChIKey of methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate?
The InChIKey is NMGNEIPPHIAXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-13(17)7-8-19-14-10(3-2-4-12(14)15)9-16-11-5-6-11/h2-4,11,16H,5-9H2,1H3.
What are the key properties of methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate?
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate has a molecular weight of 267.30 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate is sourced from PubChem (CID 112609795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).