2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol

C14H28F2N2O — CID 107486474

IUPAC2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCO)CC(F)F)CCCC1
InChIInChI=1S/C14H28F2N2O/c1-2-7-17-11-14(5-3-4-6-14)12-18(8-9-19)10-13(15)16/h13,17,19H,2-12H2,1H3
InChIKeyNCSWLAYPJGAOTQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.11
Rot. Bonds10

About 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol (PubChem CID 107486474) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
PubChem CID107486474
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCO)CC(F)F)CCCC1
InChIInChI=1S/C14H28F2N2O/c1-2-7-17-11-14(5-3-4-6-14)12-18(8-9-19)10-13(15)16/h13,17,19H,2-12H2,1H3
InChIKeyNCSWLAYPJGAOTQ-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol (CID 107486474) is 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol is CCCNCC1(CN(CCO)CC(F)F)CCCC1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The InChIKey is NCSWLAYPJGAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-2-7-17-11-14(5-3-4-6-14)12-18(8-9-19)10-13(15)16/h13,17,19H,2-12H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol has a molecular weight of 278.39 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol is sourced from PubChem (CID 107486474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).