tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate

C17H26N2O3 — CID 24730238

IUPACtert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-9-10-21-15(13-19)12-18-11-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyQUFUQJJISQBPHJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate

tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate (PubChem CID 24730238) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
PubChem CID24730238
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-9-10-21-15(13-19)12-18-11-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyQUFUQJJISQBPHJ-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
CID 70810940
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
tert-butyl 2-[[[3-(benzylcarbamoyl)-6-chloropyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 164598959
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254992

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate (CID 24730238) is tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CNCc2ccccc2)C1.
What is the InChIKey of tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate?
The InChIKey is QUFUQJJISQBPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-9-10-21-15(13-19)12-18-11-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3.
What are the key properties of tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate?
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 24730238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).