methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate

C14H19FN2O3 — CID 115533840

IUPACmethyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cc(F)cc(CN)c2)CCO1
InChIInChI=1S/C14H19FN2O3/c1-19-14(18)13-9-17(2-3-20-13)8-11-4-10(7-16)5-12(15)6-11/h4-6,13H,2-3,7-9,16H2,1H3
InChIKeyNXVAYUIYRXFMIA-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.66
Rot. Bonds4

About methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate

methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate (PubChem CID 115533840) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
PubChem CID115533840
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Namemethyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cc(F)cc(CN)c2)CCO1
InChIInChI=1S/C14H19FN2O3/c1-19-14(18)13-9-17(2-3-20-13)8-11-4-10(7-16)5-12(15)6-11/h4-6,13H,2-3,7-9,16H2,1H3
InChIKeyNXVAYUIYRXFMIA-UHFFFAOYSA-N
XLogP0.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate
CID 115533887
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate (CID 115533840) is methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2cc(F)cc(CN)c2)CCO1.
What is the InChIKey of methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate?
The InChIKey is NXVAYUIYRXFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-14(18)13-9-17(2-3-20-13)8-11-4-10(7-16)5-12(15)6-11/h4-6,13H,2-3,7-9,16H2,1H3.
What are the key properties of methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate?
methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate is sourced from PubChem (CID 115533840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).