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

C12H15F3N2O2 — CID 118947556

IUPAC[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyZVAQHQFXVSMWQJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.70
Rot. Bonds3

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

[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 118947556) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID118947556
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18)
InChIKeyZVAQHQFXVSMWQJ-UHFFFAOYSA-N
XLogP2.70
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[4-amino-2-(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

Related Compounds

tert-butyl N-[4-(trifluoromethyl)anilino]sulfanylcarbamate
CID 134984673
(4-Amino-2-trifluoromethyl-phenyl)-acetic acid methyl ester
CID 54558571
(4-Methyl-3-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
CID 65143057
7-(3,3-Difluoropropoxy)-5,6,8,9-tetrahydrobenzo[7]annulene-3,7-diamine
CID 68439809
tert-butyl N-[4-methyl-3-(trifluoromethyl)anilino]carbamate
CID 90065672
tert-butyl N-[2-[4-amino-2-(trifluoromethyl)phenyl]ethyl]carbamate
CID 90784604
(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,4-dimethylphenyl)carbamate
CID 123176267
tert-butyl N-[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]carbamate
CID 132034784
tert-butyl N-[1-(3-amino-2,6-difluorophenyl)-2-methylpropan-2-yl]oxycarbonylcarbamate
CID 140859891
[1-[2-Amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 150209228
[1-(2-Amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate
CID 150652983
[1-(2-Amino-5-fluorophenyl)-2-methylpropan-2-yl] carbamate
CID 150746894

Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 118947556) is [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(N)cc1C(F)(F)F)OC(N)=O.
What is the InChIKey of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is ZVAQHQFXVSMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,19-10(17)18)6-7-3-4-8(16)5-9(7)12(13,14)15/h3-5H,6,16H2,1-2H3,(H2,17,18).
What are the key properties of [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 276.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 118947556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).