tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate

C16H23FN2O2 — CID 63302812

IUPACtert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
SMILESCC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-11(13-7-5-6-8-14(13)17)18-12-9-19(10-12)15(20)21-16(2,3)4/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyHKZGWHHRBXMANS-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate

tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate (PubChem CID 63302812) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
PubChem CID63302812
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
SMILESCC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-11(13-7-5-6-8-14(13)17)18-12-9-19(10-12)15(20)21-16(2,3)4/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyHKZGWHHRBXMANS-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-1-carboxylate
CID 103821019
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl 3-[1-(5-bromo-2-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239382
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
CID 113231793
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 2762218
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate (CID 63302812) is tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate is CC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1F.
What is the InChIKey of tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate?
The InChIKey is HKZGWHHRBXMANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(13-7-5-6-8-14(13)17)18-12-9-19(10-12)15(20)21-16(2,3)4/h5-8,11-12,18H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate?
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63302812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).