tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate

C17H27N3O3 — CID 67170278

IUPACtert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate
SMILESCc1ccc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(N)c1
InChIInChI=1S/C17H27N3O3/c1-12-5-6-15(14(18)9-12)19-10-13-11-20(7-8-22-13)16(21)23-17(2,3)4/h5-6,9,13,19H,7-8,10-11,18H2,1-4H3/t13-/m1/s1
InChIKeyOVRBKEFYHMHZTJ-CYBMUJFWSA-N
MW321.42 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate (PubChem CID 67170278) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate
PubChem CID67170278
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate
SMILESCc1ccc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(N)c1
InChIInChI=1S/C17H27N3O3/c1-12-5-6-15(14(18)9-12)19-10-13-11-20(7-8-22-13)16(21)23-17(2,3)4/h5-6,9,13,19H,7-8,10-11,18H2,1-4H3/t13-/m1/s1
InChIKeyOVRBKEFYHMHZTJ-CYBMUJFWSA-N
XLogP2.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-(4-amino-3-methylphenyl)piperazine-1-carboxylate
CID 44522398
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2258010
3-(2,6-Dimethyl-morpholin-4-yl)-N-p-tolyl-propionamide
CID 23724245
Ethyl 4-[3-(4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 719559
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 891690
3-(2-{3-[(3,4-Dimethylphenyl)amino]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24790793

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate (CID 67170278) is tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate is Cc1ccc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(N)c1.
What is the InChIKey of tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate?
The InChIKey is OVRBKEFYHMHZTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-5-6-15(14(18)9-12)19-10-13-11-20(7-8-22-13)16(21)23-17(2,3)4/h5-6,9,13,19H,7-8,10-11,18H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-amino-4-methylanilino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 67170278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).