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

C15H21F2NO — CID 79871344

IUPAC1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCCC1NCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO/c1-15(2)8-4-7-13(15)18-9-12(19)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,18-19H,4,7-9H2,1-2H3
InChIKeyALEQFMXVBWKMOU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds4

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

1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol (PubChem CID 79871344) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
PubChem CID79871344
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCCC1NCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO/c1-15(2)8-4-7-13(15)18-9-12(19)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,18-19H,4,7-9H2,1-2H3
InChIKeyALEQFMXVBWKMOU-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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Related Compounds

1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
CID 104531363
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79871200
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861477
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol (CID 79871344) is 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol is CC1(C)CCCC1NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The InChIKey is ALEQFMXVBWKMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-15(2)8-4-7-13(15)18-9-12(19)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,18-19H,4,7-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[(2,2-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-[(2,2-dimethylcyclopentyl)amino]ethanol is sourced from PubChem (CID 79871344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).