2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol

C14H28F2N2O — CID 107486480

IUPAC2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
SMILESCCNC1CCC(C)CC1CN(CCO)CC(F)F
InChIInChI=1S/C14H28F2N2O/c1-3-17-13-5-4-11(2)8-12(13)9-18(6-7-19)10-14(15)16/h11-14,17,19H,3-10H2,1-2H3
InChIKeyLJDSBJOQWGAUTP-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.96
Rot. Bonds8

About 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol (PubChem CID 107486480) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
PubChem CID107486480
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
SMILESCCNC1CCC(C)CC1CN(CCO)CC(F)F
InChIInChI=1S/C14H28F2N2O/c1-3-17-13-5-4-11(2)8-12(13)9-18(6-7-19)10-14(15)16/h11-14,17,19H,3-10H2,1-2H3
InChIKeyLJDSBJOQWGAUTP-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 107486534
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
CID 55094802
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62614520
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 63493495
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
CID 107486535
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol (CID 107486480) is 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol is CCNC1CCC(C)CC1CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol?
The InChIKey is LJDSBJOQWGAUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-3-17-13-5-4-11(2)8-12(13)9-18(6-7-19)10-14(15)16/h11-14,17,19H,3-10H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol has a molecular weight of 278.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107486480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).