tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate

C14H22N2O2 — CID 84707256

IUPACtert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(C)(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)18-12(17)16-11-8-6-7-10(9-11)14(4,5)15/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyBKNWWJSJZUIZAM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate

tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate (PubChem CID 84707256) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate
PubChem CID84707256
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(C)(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)18-12(17)16-11-8-6-7-10(9-11)14(4,5)15/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyBKNWWJSJZUIZAM-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.23
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-(2-aminopropan-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate (CID 84707256) is tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(C)(C)N)c1.
What is the InChIKey of tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate?
The InChIKey is BKNWWJSJZUIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)18-12(17)16-11-8-6-7-10(9-11)14(4,5)15/h6-9H,15H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate?
tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-aminopropan-2-yl)phenyl]carbamate is sourced from PubChem (CID 84707256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).