methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate

C15H21FN2O3 — CID 115533910

IUPACmethyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(CN)cc2F)CCO1
InChIInChI=1S/C15H21FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7-10,17H2,1H3
InChIKeyRYDQERBELRMZJR-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate

methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate (PubChem CID 115533910) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
PubChem CID115533910
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(CN)cc2F)CCO1
InChIInChI=1S/C15H21FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7-10,17H2,1H3
InChIKeyRYDQERBELRMZJR-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
CID 103749535
methyl 2-[4-[(3-bromo-2,6-difluorophenyl)methyl]morpholin-2-yl]acetate
CID 106270408

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate (CID 115533910) is methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ccc(CN)cc2F)CCO1.
What is the InChIKey of methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate?
The InChIKey is RYDQERBELRMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7-10,17H2,1H3.
What are the key properties of methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate?
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate has a molecular weight of 296.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 115533910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).