tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate

C14H22N2O3 — CID 24688809

IUPACtert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-11(9-15)10-7-5-6-8-12(10)18-4/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKeyRNEGUFKAOUIENK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate (PubChem CID 24688809) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate
PubChem CID24688809
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-11(9-15)10-7-5-6-8-12(10)18-4/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKeyRNEGUFKAOUIENK-UHFFFAOYSA-N
XLogP2.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate (CID 24688809) is tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate is COc1ccccc1C(CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate?
The InChIKey is RNEGUFKAOUIENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-11(9-15)10-7-5-6-8-12(10)18-4/h5-8,11H,9,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2-methoxyphenyl)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.22, 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-amino-1-(2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 24688809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).