methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate

C15H22N2O4 — CID 115533887

IUPACmethyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(O)c2ccc(CN)cc2)CCO1
InChIInChI=1S/C15H22N2O4/c1-20-15(19)14-10-17(6-7-21-14)9-13(18)12-4-2-11(8-16)3-5-12/h2-5,13-14,18H,6-10,16H2,1H3
InChIKeyYVANEUGOUVQLJQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.05
Rot. Bonds5

About methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate

methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate (PubChem CID 115533887) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate
PubChem CID115533887
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(O)c2ccc(CN)cc2)CCO1
InChIInChI=1S/C15H22N2O4/c1-20-15(19)14-10-17(6-7-21-14)9-13(18)12-4-2-11(8-16)3-5-12/h2-5,13-14,18H,6-10,16H2,1H3
InChIKeyYVANEUGOUVQLJQ-UHFFFAOYSA-N
XLogP0.05
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
CID 115533840
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-(2-cyanopropyl)morpholine-2-carboxylate
CID 115537417
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
CID 114797226
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate (CID 115533887) is methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(O)c2ccc(CN)cc2)CCO1.
What is the InChIKey of methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate?
The InChIKey is YVANEUGOUVQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-15(19)14-10-17(6-7-21-14)9-13(18)12-4-2-11(8-16)3-5-12/h2-5,13-14,18H,6-10,16H2,1H3.
What are the key properties of methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate?
methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate is sourced from PubChem (CID 115533887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).