tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate

C14H21FN2O2 — CID 69379839

IUPACtert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17-9-8-12(16)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyZHIUKZYJTIZWEO-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate

tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate (PubChem CID 69379839) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate
PubChem CID69379839
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nametert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17-9-8-12(16)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyZHIUKZYJTIZWEO-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate (CID 69379839) is tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate is CC(C)(C)OC(=O)NCCC(N)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate?
The InChIKey is ZHIUKZYJTIZWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17-9-8-12(16)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate?
tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate has a molecular weight of 268.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate is sourced from PubChem (CID 69379839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).