tert-butyl N-(2-methylphenyl)iminocarbamate

C12H16N2O2 — CID 45158398

IUPACtert-butyl N-(2-methylphenyl)iminocarbamate
SMILESCc1ccccc1/N=N/C(=O)OC(C)(C)C
InChIInChI=1S/C12H16N2O2/c1-9-7-5-6-8-10(9)13-14-11(15)16-12(2,3)4/h5-8H,1-4H3/b14-13+
InChIKeyBFINKQCDYRWZAQ-BUHFOSPRSA-N
MW220.27 g/mol
LogP4.01
Rot. Bonds1

About tert-butyl N-(2-methylphenyl)iminocarbamate

tert-butyl N-(2-methylphenyl)iminocarbamate (PubChem CID 45158398) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl N-(2-methylphenyl)iminocarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylphenyl)iminocarbamate
PubChem CID45158398
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nametert-butyl N-(2-methylphenyl)iminocarbamate
SMILESCc1ccccc1/N=N/C(=O)OC(C)(C)C
InChIInChI=1S/C12H16N2O2/c1-9-7-5-6-8-10(9)13-14-11(15)16-12(2,3)4/h5-8H,1-4H3/b14-13+
InChIKeyBFINKQCDYRWZAQ-BUHFOSPRSA-N
XLogP4.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-benzamidophenyl)iminocarbamate
CID 135025532
tert-butyl N-[2-(butanoylamino)phenyl]iminocarbamate
CID 122376038
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
tert-butyl (Z)-3-hydroxy-2-[(2-methylphenyl)iminomethyl]but-2-enoate
CID 135843473
lithium tert-butyl (NZ)-N-(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-ylidenecarbamate
CID 10560156
ditert-butyl 2-(2-methylphenyl)propanedioate
CID 11120338
1-(aminodiazenyl)-2-methylbenzene
CID 21467423
tert-butyl 3-(2-methylphenyl)prop-2-ynoate
CID 102407719
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate
CID 54101933
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylphenyl)iminocarbamate?
The IUPAC name of tert-butyl N-(2-methylphenyl)iminocarbamate (CID 45158398) is tert-butyl N-(2-methylphenyl)iminocarbamate.
What is the SMILES notation for tert-butyl N-(2-methylphenyl)iminocarbamate?
The canonical SMILES for tert-butyl N-(2-methylphenyl)iminocarbamate is Cc1ccccc1/N=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylphenyl)iminocarbamate?
The InChIKey is BFINKQCDYRWZAQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-5-6-8-10(9)13-14-11(15)16-12(2,3)4/h5-8H,1-4H3/b14-13+.
What are the key properties of tert-butyl N-(2-methylphenyl)iminocarbamate?
tert-butyl N-(2-methylphenyl)iminocarbamate has a molecular weight of 220.27 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylphenyl)iminocarbamate is sourced from PubChem (CID 45158398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).