1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine

C13H25F2NO — CID 114224947

IUPAC1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(C)(C)C(CC1CCC(F)(F)C1)NC
InChIInChI=1S/C13H25F2NO/c1-5-17-12(2,3)11(16-4)8-10-6-7-13(14,15)9-10/h10-11,16H,5-9H2,1-4H3
InChIKeyBUASYXHXFZIGBL-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.21
Rot. Bonds6

About 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine

1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine (PubChem CID 114224947) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine
PubChem CID114224947
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(C)(C)C(CC1CCC(F)(F)C1)NC
InChIInChI=1S/C13H25F2NO/c1-5-17-12(2,3)11(16-4)8-10-6-7-13(14,15)9-10/h10-11,16H,5-9H2,1-4H3
InChIKeyBUASYXHXFZIGBL-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036821
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62108900
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
CID 62109244
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
CID 62109404

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine (CID 114224947) is 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine is CCOC(C)(C)C(CC1CCC(F)(F)C1)NC.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The InChIKey is BUASYXHXFZIGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-5-17-12(2,3)11(16-4)8-10-6-7-13(14,15)9-10/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine?
1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-ethoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 114224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).