(3-amino-2-tert-butylphenyl) carbamate

C11H16N2O2 — CID 67424398

IUPAC(3-amino-2-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1c(N)cccc1OC(N)=O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,12H2,1-3H3,(H2,13,14)
InChIKeyASPGHLXKYQEBRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds1

About (3-amino-2-tert-butylphenyl) carbamate

(3-amino-2-tert-butylphenyl) carbamate (PubChem CID 67424398) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-2-tert-butylphenyl) carbamate.

Molecular Properties

Compound Name(3-amino-2-tert-butylphenyl) carbamate
PubChem CID67424398
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-amino-2-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1c(N)cccc1OC(N)=O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,12H2,1-3H3,(H2,13,14)
InChIKeyASPGHLXKYQEBRA-UHFFFAOYSA-N
XLogP2.02
TPSA78.34 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 ≤ 52.02
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

(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
(3-amino-2-tert-butylphenyl)carbamic acid
CID 151705129
(2,3-difluorophenyl) carbamate
CID 154511519
(5-amino-1-bromonaphthalen-2-yl) carbamate
CID 172817145
2-tert-butyl-3-chloroaniline
CID 68787063
[2-(dimethylamino)phenyl] carbamate
CID 163610116
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
(2-trimethylsilylphenyl) carbamate
CID 68854003
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
CID 175859022
3-(3-amino-2-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622080
(3-amino-2-methylsulfanylphenyl) 2,2,2-trifluoroacetate
CID 139688338

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-tert-butylphenyl) carbamate?
The IUPAC name of (3-amino-2-tert-butylphenyl) carbamate (CID 67424398) is (3-amino-2-tert-butylphenyl) carbamate.
What is the SMILES notation for (3-amino-2-tert-butylphenyl) carbamate?
The canonical SMILES for (3-amino-2-tert-butylphenyl) carbamate is CC(C)(C)c1c(N)cccc1OC(N)=O.
What is the InChIKey of (3-amino-2-tert-butylphenyl) carbamate?
The InChIKey is ASPGHLXKYQEBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,12H2,1-3H3,(H2,13,14).
What are the key properties of (3-amino-2-tert-butylphenyl) carbamate?
(3-amino-2-tert-butylphenyl) carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-tert-butylphenyl) carbamate is sourced from PubChem (CID 67424398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).