1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol

C15H21F2NO — CID 104531363

IUPAC1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCC(NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2NO/c1-15(2)7-6-10(8-15)18-9-13(19)14-11(16)4-3-5-12(14)17/h3-5,10,13,18-19H,6-9H2,1-2H3
InChIKeyRRSRZPYZSXAQHU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol (PubChem CID 104531363) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
PubChem CID104531363
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCC(NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2NO/c1-15(2)7-6-10(8-15)18-9-13(19)14-11(16)4-3-5-12(14)17/h3-5,10,13,18-19H,6-9H2,1-2H3
InChIKeyRRSRZPYZSXAQHU-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol (CID 104531363) is 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol is CC1(C)CCC(NCC(O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol?
The InChIKey is RRSRZPYZSXAQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-15(2)7-6-10(8-15)18-9-13(19)14-11(16)4-3-5-12(14)17/h3-5,10,13,18-19H,6-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol has a molecular weight of 269.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol is sourced from PubChem (CID 104531363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).