tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate

C15H21FN2O3 — CID 155289011

IUPACtert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2c(N)cccc2F)C1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-10(8-18)9-20-13-11(16)5-4-6-12(13)17/h4-6,10H,7-9,17H2,1-3H3
InChIKeySVHXRDOBSYXHAB-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate

tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate (PubChem CID 155289011) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
PubChem CID155289011
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2c(N)cccc2F)C1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-10(8-18)9-20-13-11(16)5-4-6-12(13)17/h4-6,10H,7-9,17H2,1-3H3
InChIKeySVHXRDOBSYXHAB-UHFFFAOYSA-N
XLogP2.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-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 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
tert-butyl 3-[(4-amino-2-bromo-6-fluorophenoxy)methyl]azetidine-1-carboxylate
CID 138985880
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 18771787
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 3-[(2-amino-6-bromo-4-methylphenoxy)methyl]azetidine-1-carboxylate
CID 146035522
tert-butyl 3-[(4-bromo-3,5-difluorophenoxy)methyl]azetidine-1-carboxylate
CID 142712797
tert-butyl 4-[(2-fluoro-6-nitrophenoxy)methyl]piperidine-1-carboxylate
CID 53255950
tert-butyl 3-[2-(cyclopropylmethoxy)-3-fluorobenzoyl]piperidine-1-carboxylate
CID 67193895
tert-butyl 4-[[2-[(1-amino-2-chloroethylidene)amino]-6-fluorophenoxy]methyl]piperidine-1-carboxylate
CID 169367824
tert-butyl 3-[(3-amino-5-bromophenoxy)methyl]azetidine-1-carboxylate
CID 166594011
tert-butyl 3-[(2,4,6-trifluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902538
tert-butyl 3-[(3,5-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271451

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate (CID 155289011) is tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COc2c(N)cccc2F)C1.
What is the InChIKey of tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate?
The InChIKey is SVHXRDOBSYXHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(19)18-7-10(8-18)9-20-13-11(16)5-4-6-12(13)17/h4-6,10H,7-9,17H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate?
tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate has a molecular weight of 296.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 155289011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).