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

C15H30F2N2O — CID 107478846

IUPAC2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C15H30F2N2O/c1-15(2,3)12-5-4-11(9-18)13(8-12)19(6-7-20)10-14(16)17/h11-14,20H,4-10,18H2,1-3H3
InChIKeyYYGZHBCCAOXKNT-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.34
Rot. Bonds6

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

2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478846) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478846
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C15H30F2N2O/c1-15(2,3)12-5-4-11(9-18)13(8-12)19(6-7-20)10-14(16)17/h11-14,20H,4-10,18H2,1-3H3
InChIKeyYYGZHBCCAOXKNT-UHFFFAOYSA-N
XLogP2.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.34
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478846) is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is CC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is YYGZHBCCAOXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-15(2,3)12-5-4-11(9-18)13(8-12)19(6-7-20)10-14(16)17/h11-14,20H,4-10,18H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 292.41 g/mol, XLogP of 2.34, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).