tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate

C14H22N2O2 — CID 84707260

IUPACtert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
SMILESCC(CN)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10(9-15)11-7-5-6-8-12(11)16-13(17)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyXOWVNEKAGFEBFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate

tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate (PubChem CID 84707260) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
PubChem CID84707260
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
SMILESCC(CN)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10(9-15)11-7-5-6-8-12(11)16-13(17)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyXOWVNEKAGFEBFZ-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate (CID 84707260) is tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate is CC(CN)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate?
The InChIKey is XOWVNEKAGFEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(9-15)11-7-5-6-8-12(11)16-13(17)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate?
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate is sourced from PubChem (CID 84707260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).