tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate

C14H21FN2O3 — CID 177233914

IUPACtert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O3/c1-14(2,3)20-13(18)17-7-4-8-19-12-9-10(15)5-6-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNHZPTJFDNSPZFQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.70
Rot. Bonds5

About tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate

tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate (PubChem CID 177233914) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
PubChem CID177233914
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O3/c1-14(2,3)20-13(18)17-7-4-8-19-12-9-10(15)5-6-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNHZPTJFDNSPZFQ-UHFFFAOYSA-N
XLogP2.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
CID 164576734
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(2-amino-5-fluoroanilino)ethyl]carbamate
CID 114518011
tert-butyl N-[3-(2-amino-4-methylsulfonylphenoxy)propyl]carbamate
CID 167530149
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700
tert-butyl N-[2-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate
CID 162438360
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 164580250
tert-butyl N-[(4-amino-3-octoxyphenyl)methyl]carbamate;ethane
CID 176920136

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate (CID 177233914) is tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate is CC(C)(C)OC(=O)NCCCOc1cc(F)ccc1N.
What is the InChIKey of tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate?
The InChIKey is NHZPTJFDNSPZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-14(2,3)20-13(18)17-7-4-8-19-12-9-10(15)5-6-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate?
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate has a molecular weight of 284.33 g/mol, XLogP of 2.70, 5 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-amino-5-fluorophenoxy)propyl]carbamate is sourced from PubChem (CID 177233914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).