2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid

C14H18F3NO2 — CID 167089219

IUPAC2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
SMILESCC(C)c1cc(C(C)NCC(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-8(2)11-6-10(9(3)18-7-13(19)20)4-5-12(11)14(15,16)17/h4-6,8-9,18H,7H2,1-3H3,(H,19,20)
InChIKeyAIZXORBBTXLYGB-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.56
Rot. Bonds5

About 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid

2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid (PubChem CID 167089219) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
PubChem CID167089219
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
SMILESCC(C)c1cc(C(C)NCC(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-8(2)11-6-10(9(3)18-7-13(19)20)4-5-12(11)14(15,16)17/h4-6,8-9,18H,7H2,1-3H3,(H,19,20)
InChIKeyAIZXORBBTXLYGB-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid?
The IUPAC name of 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid (CID 167089219) is 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid.
What is the SMILES notation for 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid?
The canonical SMILES for 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid is CC(C)c1cc(C(C)NCC(=O)O)ccc1C(F)(F)F.
What is the InChIKey of 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid?
The InChIKey is AIZXORBBTXLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-8(2)11-6-10(9(3)18-7-13(19)20)4-5-12(11)14(15,16)17/h4-6,8-9,18H,7H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid?
2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid has a molecular weight of 289.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid is sourced from PubChem (CID 167089219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).