methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate

C15H20FNO3 — CID 79653657

IUPACmethyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H20FNO3/c1-10-4-5-12(16)13(8-10)20-11-6-7-15(9-11,17-2)14(18)19-3/h4-5,8,11,17H,6-7,9H2,1-3H3
InChIKeyCANZDJCGNWBZHX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.20
Rot. Bonds4

About methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79653657) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79653657
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H20FNO3/c1-10-4-5-12(16)13(8-10)20-11-6-7-15(9-11,17-2)14(18)19-3/h4-5,8,11,17H,6-7,9H2,1-3H3
InChIKeyCANZDJCGNWBZHX-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403
methyl 3-(3,5-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79635434
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650689
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate (CID 79653657) is methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(Oc2cc(C)ccc2F)C1.
What is the InChIKey of methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is CANZDJCGNWBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-4-5-12(16)13(8-10)20-11-6-7-15(9-11,17-2)14(18)19-3/h4-5,8,11,17H,6-7,9H2,1-3H3.
What are the key properties of methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79653657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).