2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol

C16H32F2N2O — CID 107486467

IUPAC2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CNC(C)C)(CN(CCO)CC(F)F)C1
InChIInChI=1S/C16H32F2N2O/c1-13(2)19-11-16(6-4-5-14(3)9-16)12-20(7-8-21)10-15(17)18/h13-15,19,21H,4-12H2,1-3H3
InChIKeyDRUURWLUSUHNOO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.74
Rot. Bonds9

About 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol (PubChem CID 107486467) has the molecular formula C16H32F2N2O and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
PubChem CID107486467
Molecular FormulaC16H32F2N2O
Molecular Weight306.44 g/mol
Exact Mass306.25
IUPAC Name2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CNC(C)C)(CN(CCO)CC(F)F)C1
InChIInChI=1S/C16H32F2N2O/c1-13(2)19-11-16(6-4-5-14(3)9-16)12-20(7-8-21)10-15(17)18/h13-15,19,21H,4-12H2,1-3H3
InChIKeyDRUURWLUSUHNOO-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol (CID 107486467) is 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol is CC1CCCC(CNC(C)C)(CN(CCO)CC(F)F)C1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
The InChIKey is DRUURWLUSUHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2O/c1-13(2)19-11-16(6-4-5-14(3)9-16)12-20(7-8-21)10-15(17)18/h13-15,19,21H,4-12H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol has a molecular weight of 306.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107486467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).