(2-aminophenyl)-tert-butylcarbamic acid

C11H16N2O2 — CID 66632268

IUPAC(2-aminophenyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccccc1N
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,14,15)
InChIKeyVWUHYPRPALOPFL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.55
Rot. Bonds1

About (2-aminophenyl)-tert-butylcarbamic acid

(2-aminophenyl)-tert-butylcarbamic acid (PubChem CID 66632268) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-aminophenyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(2-aminophenyl)-tert-butylcarbamic acid
PubChem CID66632268
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2-aminophenyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccccc1N
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,14,15)
InChIKeyVWUHYPRPALOPFL-UHFFFAOYSA-N
XLogP2.55
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

amino-(2-aminophenyl)carbamic acid
CID 143072822
tert-butyl-[2-(trifluoromethoxy)phenyl]carbamic acid
CID 154035668
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid
CID 67451727
1-tert-butyl-1-phenylurea
CID 19102233
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
CID 175418478
benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323631
benzene-1,2-diamine;carbonic acid
CID 22256139
tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
CID 54066906
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
(4-bromo-2-methylphenyl)-tert-butylcarbamic acid
CID 67311856

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-tert-butylcarbamic acid?
The IUPAC name of (2-aminophenyl)-tert-butylcarbamic acid (CID 66632268) is (2-aminophenyl)-tert-butylcarbamic acid.
What is the SMILES notation for (2-aminophenyl)-tert-butylcarbamic acid?
The canonical SMILES for (2-aminophenyl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-tert-butylcarbamic acid?
The InChIKey is VWUHYPRPALOPFL-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,14,15).
What are the key properties of (2-aminophenyl)-tert-butylcarbamic acid?
(2-aminophenyl)-tert-butylcarbamic acid has a molecular weight of 208.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-tert-butylcarbamic acid is sourced from PubChem (CID 66632268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).