2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

C15H29F3N2O — CID 107478904

IUPAC2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-14(2,3)12-5-4-11(9-19)13(8-12)20(6-7-21)10-15(16,17)18/h11-13,21H,4-10,19H2,1-3H3
InChIKeyUZTJNACDJRNQNP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.63
Rot. Bonds5

About 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478904) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478904
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-14(2,3)12-5-4-11(9-19)13(8-12)20(6-7-21)10-15(16,17)18/h11-13,21H,4-10,19H2,1-3H3
InChIKeyUZTJNACDJRNQNP-UHFFFAOYSA-N
XLogP2.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478904) is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(C)C1CCC(CN)C(N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is UZTJNACDJRNQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-14(2,3)12-5-4-11(9-19)13(8-12)20(6-7-21)10-15(16,17)18/h11-13,21H,4-10,19H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 310.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).