[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

C13H17F3N2O2 — CID 151946479

IUPAC[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(N)c(CC(C)(C)OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-7-4-10(17)8(5-9(7)13(14,15)16)6-12(2,3)20-11(18)19/h4-5H,6,17H2,1-3H3,(H2,18,19)
InChIKeyTVTGUQYFFZGUKF-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.01
Rot. Bonds3

About [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 151946479) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID151946479
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(N)c(CC(C)(C)OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-7-4-10(17)8(5-9(7)13(14,15)16)6-12(2,3)20-11(18)19/h4-5H,6,17H2,1-3H3,(H2,18,19)
InChIKeyTVTGUQYFFZGUKF-UHFFFAOYSA-N
XLogP3.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 151946479) is [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is Cc1cc(N)c(CC(C)(C)OC(N)=O)cc1C(F)(F)F.
What is the InChIKey of [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is TVTGUQYFFZGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-7-4-10(17)8(5-9(7)13(14,15)16)6-12(2,3)20-11(18)19/h4-5H,6,17H2,1-3H3,(H2,18,19).
What are the key properties of [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 290.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-4-methyl-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151946479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).