tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate

C14H22FN3O3 — CID 175364559

IUPACtert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ncc(F)cc1CN
InChIInChI=1S/C14H22FN3O3/c1-9(7-18-13(19)21-14(2,3)4)20-12-10(6-16)5-11(15)8-17-12/h5,8-9H,6-7,16H2,1-4H3,(H,18,19)
InChIKeyCMEXEIVNYOJIQR-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate

tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate (PubChem CID 175364559) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
PubChem CID175364559
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ncc(F)cc1CN
InChIInChI=1S/C14H22FN3O3/c1-9(7-18-13(19)21-14(2,3)4)20-12-10(6-16)5-11(15)8-17-12/h5,8-9H,6-7,16H2,1-4H3,(H,18,19)
InChIKeyCMEXEIVNYOJIQR-UHFFFAOYSA-N
XLogP1.97
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 162374918
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
CID 142279103
tert-butyl N-[2-(5-bromo-3-methylpyrazin-2-yl)oxypropyl]carbamate
CID 167351136
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
ethyl 7-amino-5-[[5-fluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxy-3-pyridinyl]methylamino]-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168841833
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
CID 134814530
tert-butyl N-[(5-fluoropyrimidin-2-yl)methyl]carbamate;(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
CID 162004917
tert-butyl N-[3-(4-amino-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832195
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate (CID 175364559) is tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Oc1ncc(F)cc1CN.
What is the InChIKey of tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate?
The InChIKey is CMEXEIVNYOJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-9(7-18-13(19)21-14(2,3)4)20-12-10(6-16)5-11(15)8-17-12/h5,8-9H,6-7,16H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate?
tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate has a molecular weight of 299.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate is sourced from PubChem (CID 175364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).