methyl 2-[(2-fluorophenyl)methylamino]hexanoate

C14H20FNO2 — CID 113268584

IUPACmethyl 2-[(2-fluorophenyl)methylamino]hexanoate
SMILESCCCCC(NCc1ccccc1F)C(=O)OC
InChIInChI=1S/C14H20FNO2/c1-3-4-9-13(14(17)18-2)16-10-11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyXJRUCTPEDUZSMR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.65
Rot. Bonds7

About methyl 2-[(2-fluorophenyl)methylamino]hexanoate

methyl 2-[(2-fluorophenyl)methylamino]hexanoate (PubChem CID 113268584) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)methylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)methylamino]hexanoate
PubChem CID113268584
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namemethyl 2-[(2-fluorophenyl)methylamino]hexanoate
SMILESCCCCC(NCc1ccccc1F)C(=O)OC
InChIInChI=1S/C14H20FNO2/c1-3-4-9-13(14(17)18-2)16-10-11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyXJRUCTPEDUZSMR-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
methyl 2-[[2-(trifluoromethyl)phenyl]methylamino]hexanoate
CID 103868443
methyl 2-[(3-fluoro-2-hydroxyphenyl)methylamino]butanoate
CID 114283733
ethyl 2-[(2-fluorophenyl)methylamino]-3-methylbutanoate
CID 86789377
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
methyl 2-[(3-ethylthiophen-2-yl)methylamino]hexanoate
CID 103868511
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
methyl 2-[(2-methylphenyl)methylamino]butanoate
CID 115353062
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
methyl 2-(2,5-difluoroanilino)hexanoate
CID 103232812
methyl 2-[(3-bromothiophen-2-yl)methylamino]hexanoate
CID 103868448

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)methylamino]hexanoate?
The IUPAC name of methyl 2-[(2-fluorophenyl)methylamino]hexanoate (CID 113268584) is methyl 2-[(2-fluorophenyl)methylamino]hexanoate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)methylamino]hexanoate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)methylamino]hexanoate is CCCCC(NCc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-[(2-fluorophenyl)methylamino]hexanoate?
The InChIKey is XJRUCTPEDUZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-4-9-13(14(17)18-2)16-10-11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 2-[(2-fluorophenyl)methylamino]hexanoate?
methyl 2-[(2-fluorophenyl)methylamino]hexanoate has a molecular weight of 253.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)methylamino]hexanoate is sourced from PubChem (CID 113268584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).