tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate

C17H21N3O2 — CID 68786363

IUPACtert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-15-10-13(19)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,18-19H2,1-3H3,(H,20,21)
InChIKeyFUZFROBTNCSZCC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.87
Rot. Bonds2

About tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate

tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate (PubChem CID 68786363) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
PubChem CID68786363
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-15-10-13(19)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,18-19H2,1-3H3,(H,20,21)
InChIKeyFUZFROBTNCSZCC-UHFFFAOYSA-N
XLogP3.87
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-[5-amino-2-(6-phenyl-1,2,4,5-tetrazin-3-yl)phenyl]carbamate
CID 159916711
tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
CID 126755429
tert-butyl N-[3-amino-5-(4-aminophenyl)phenyl]carbamate
CID 68784282
(4-aminobenzoyl)imino-[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]iminoazanium
CID 174836977
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
tert-butyl N-[4-[2-(4-aminophenyl)ethynyl]phenyl]carbamate
CID 59266671
tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
CID 66619507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate (CID 68786363) is tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccc(N)cc1.
What is the InChIKey of tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate?
The InChIKey is FUZFROBTNCSZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-15-10-13(19)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,18-19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate?
tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate is sourced from PubChem (CID 68786363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).