[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid

C14H19F3N2O3 — CID 129068698

IUPAC[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H19F3N2O3/c1-13(2,3)19(12(20)21)8-11(18)9-5-4-6-10(7-9)22-14(15,16)17/h4-7,11H,8,18H2,1-3H3,(H,20,21)
InChIKeyMNUFPJOMCHEGER-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.36
Rot. Bonds4

About [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid

[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid (PubChem CID 129068698) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid
PubChem CID129068698
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H19F3N2O3/c1-13(2,3)19(12(20)21)8-11(18)9-5-4-6-10(7-9)22-14(15,16)17/h4-7,11H,8,18H2,1-3H3,(H,20,21)
InChIKeyMNUFPJOMCHEGER-UHFFFAOYSA-N
XLogP3.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid?
The IUPAC name of [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid (CID 129068698) is [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid is CC(C)(C)N(CC(N)c1cccc(OC(F)(F)F)c1)C(=O)O.
What is the InChIKey of [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid?
The InChIKey is MNUFPJOMCHEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-13(2,3)19(12(20)21)8-11(18)9-5-4-6-10(7-9)22-14(15,16)17/h4-7,11H,8,18H2,1-3H3,(H,20,21).
What are the key properties of [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid?
[2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid has a molecular weight of 320.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid is sourced from PubChem (CID 129068698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).