(2-aminophenyl) N-tert-butylcarbamate

C11H16N2O2 — CID 66632468

IUPAC(2-aminophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1N
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyQLRRLKCBUCIJIX-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds1

About (2-aminophenyl) N-tert-butylcarbamate

(2-aminophenyl) N-tert-butylcarbamate (PubChem CID 66632468) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-aminophenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-aminophenyl) N-tert-butylcarbamate
PubChem CID66632468
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2-aminophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1N
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyQLRRLKCBUCIJIX-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) N-tert-butylcarbamate?
The IUPAC name of (2-aminophenyl) N-tert-butylcarbamate (CID 66632468) is (2-aminophenyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-aminophenyl) N-tert-butylcarbamate?
The canonical SMILES for (2-aminophenyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccccc1N.
What is the InChIKey of (2-aminophenyl) N-tert-butylcarbamate?
The InChIKey is QLRRLKCBUCIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of (2-aminophenyl) N-tert-butylcarbamate?
(2-aminophenyl) N-tert-butylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) N-tert-butylcarbamate is sourced from PubChem (CID 66632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).