tert-butyl N-(5-amino-2-phenylphenyl)carbamate

C17H20N2O2 — CID 68789510

IUPACtert-butyl N-(5-amino-2-phenylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-15-11-13(18)9-10-14(15)12-7-5-4-6-8-12/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyNDFNDBLKNDKGDU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.28
Rot. Bonds2

About tert-butyl N-(5-amino-2-phenylphenyl)carbamate

tert-butyl N-(5-amino-2-phenylphenyl)carbamate (PubChem CID 68789510) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2-phenylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2-phenylphenyl)carbamate
PubChem CID68789510
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-(5-amino-2-phenylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-15-11-13(18)9-10-14(15)12-7-5-4-6-8-12/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyNDFNDBLKNDKGDU-UHFFFAOYSA-N
XLogP4.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
CID 68786363
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-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
CID 91489697
tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
CID 126755429
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
CID 16655147
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-2-phenylphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-2-phenylphenyl)carbamate (CID 68789510) is tert-butyl N-(5-amino-2-phenylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2-phenylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2-phenylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccccc1.
What is the InChIKey of tert-butyl N-(5-amino-2-phenylphenyl)carbamate?
The InChIKey is NDFNDBLKNDKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-15-11-13(18)9-10-14(15)12-7-5-4-6-8-12/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(5-amino-2-phenylphenyl)carbamate?
tert-butyl N-(5-amino-2-phenylphenyl)carbamate has a molecular weight of 284.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-2-phenylphenyl)carbamate is sourced from PubChem (CID 68789510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).