tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate

C16H25FN2O3 — CID 133080612

IUPACtert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C16H25FN2O3/c1-10(9-19-15(20)22-16(3,4)5)21-14-7-6-12(17)8-13(14)11(2)18/h6-8,10-11H,9,18H2,1-5H3,(H,19,20)/t10?,11-/m1/s1
InChIKeyRQBLNMGEIXGIGR-RRKGBCIJSA-N
MW312.39 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate

tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate (PubChem CID 133080612) has the molecular formula C16H25FN2O3 and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
PubChem CID133080612
Molecular FormulaC16H25FN2O3
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C16H25FN2O3/c1-10(9-19-15(20)22-16(3,4)5)21-14-7-6-12(17)8-13(14)11(2)18/h6-8,10-11H,9,18H2,1-5H3,(H,19,20)/t10?,11-/m1/s1
InChIKeyRQBLNMGEIXGIGR-RRKGBCIJSA-N
XLogP3.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
CID 134814530
1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43189068
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
CID 153356613
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
CID 142279103
tert-butyl N-[(2S)-2-[4-fluoro-2-[[(2-hydroxycyclopentyl)amino]methyl]phenoxy]propyl]carbamate
CID 165168539
(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956396
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate (CID 133080612) is tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate?
The InChIKey is RQBLNMGEIXGIGR-RRKGBCIJSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-10(9-19-15(20)22-16(3,4)5)21-14-7-6-12(17)8-13(14)11(2)18/h6-8,10-11H,9,18H2,1-5H3,(H,19,20)/t10?,11-/m1/s1.
What are the key properties of tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate?
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate is sourced from PubChem (CID 133080612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).