tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate

C17H25FN2O3 — CID 153356613

IUPACtert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
SMILESC[C@H](N)c1cc(F)ccc1OC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25FN2O3/c1-10(19)14-7-11(18)5-6-15(14)22-13-8-12(9-13)20-16(21)23-17(2,3)4/h5-7,10,12-13H,8-9,19H2,1-4H3,(H,20,21)/t10-,12?,13?/m0/s1
InChIKeyWHMFEFDTHQVZSV-PKSQDBQZSA-N
MW324.40 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate

tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate (PubChem CID 153356613) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
PubChem CID153356613
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
SMILESC[C@H](N)c1cc(F)ccc1OC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25FN2O3/c1-10(19)14-7-11(18)5-6-15(14)22-13-8-12(9-13)20-16(21)23-17(2,3)4/h5-7,10,12-13H,8-9,19H2,1-4H3,(H,20,21)/t10-,12?,13?/m0/s1
InChIKeyWHMFEFDTHQVZSV-PKSQDBQZSA-N
XLogP3.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
[(1R,3S)-3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]cyclopentyl] hydrogen carbonate
CID 175077294
tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
CID 175849779
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
CID 113247871
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
CID 162353304
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate (CID 153356613) is tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate is C[C@H](N)c1cc(F)ccc1OC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate?
The InChIKey is WHMFEFDTHQVZSV-PKSQDBQZSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-10(19)14-7-11(18)5-6-15(14)22-13-8-12(9-13)20-16(21)23-17(2,3)4/h5-7,10,12-13H,8-9,19H2,1-4H3,(H,20,21)/t10-,12?,13?/m0/s1.
What are the key properties of tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate?
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate is sourced from PubChem (CID 153356613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).