2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol

C16H32F2N2O — CID 107478860

IUPAC2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C16H32F2N2O/c1-4-16(2,3)13-6-5-12(10-19)14(9-13)20(7-8-21)11-15(17)18/h12-15,21H,4-11,19H2,1-3H3
InChIKeySXURXVBGLWFASX-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.73
Rot. Bonds8

About 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478860) has the molecular formula C16H32F2N2O and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478860
Molecular FormulaC16H32F2N2O
Molecular Weight306.44 g/mol
Exact Mass306.25
IUPAC Name2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C16H32F2N2O/c1-4-16(2,3)13-6-5-12(10-19)14(9-13)20(7-8-21)11-15(17)18/h12-15,21H,4-11,19H2,1-3H3
InChIKeySXURXVBGLWFASX-UHFFFAOYSA-N
XLogP2.73
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol with MolForge

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Related Compounds

1,1-Difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103788078
2-[[2-(Aminomethyl)-5-tert-butylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478846
2-[[2-(Aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478855
2-[[2-(Aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478861
2-[[2-(Aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478879
2-[[2-(Aminomethyl)-5-tert-butylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478904
2-[[2-(Aminomethyl)-5-ethylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478920
2-[[2-(Aminomethyl)-5-propylcyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478934
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 107479694
2-[(2-Amino-5-tert-butylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107486457
2-[2,2-Difluoroethyl-[[1-[(propan-2-ylamino)methyl]cycloheptyl]methyl]amino]ethanol
CID 107486465
2-[2,2-Difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 107486467

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478860) is 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol is CCC(C)(C)C1CCC(CN)C(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is SXURXVBGLWFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2O/c1-4-16(2,3)13-6-5-12(10-19)14(9-13)20(7-8-21)11-15(17)18/h12-15,21H,4-11,19H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 306.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).