2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

C13H23F3N2O2 — CID 107426143

IUPAC2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-17(2)7-8-18(9-12(19)20)11-5-3-10(4-6-11)13(14,15)16/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJUHBSEITSTVMOT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 107426143) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID107426143
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-17(2)7-8-18(9-12(19)20)11-5-3-10(4-6-11)13(14,15)16/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJUHBSEITSTVMOT-UHFFFAOYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 107426143) is 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is JUHBSEITSTVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-17(2)7-8-18(9-12(19)20)11-5-3-10(4-6-11)13(14,15)16/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 296.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 107426143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).