tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate

C13H20N2O3 — CID 22620024

IUPACtert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1OCCN
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-10-6-4-5-7-11(10)17-9-8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBPPSHXHYSRQGSH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate

tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate (PubChem CID 22620024) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
PubChem CID22620024
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1OCCN
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-10-6-4-5-7-11(10)17-9-8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBPPSHXHYSRQGSH-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
N-[2-(2-aminoethoxy)phenyl]-2,6-dihydroxybenzamide
CID 107687422
[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 2-methylpropanoate
CID 174448482
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369579
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
N-[2-(2-aminoethoxy)phenyl]-3-hydroxy-2-methylbenzamide
CID 82809720

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate (CID 22620024) is tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1OCCN.
What is the InChIKey of tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate?
The InChIKey is BPPSHXHYSRQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-10-6-4-5-7-11(10)17-9-8-14/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate?
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.37, 4 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-aminoethoxy)phenyl]carbamate is sourced from PubChem (CID 22620024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).