2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine

C14H25F2NO — CID 114225798

IUPAC2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
SMILESCCC1OCCC1C(CC1CCC(F)(F)C1)NC
InChIInChI=1S/C14H25F2NO/c1-3-13-11(5-7-18-13)12(17-2)8-10-4-6-14(15,16)9-10/h10-13,17H,3-9H2,1-2H3
InChIKeyKBVAZZRUGNUXQP-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.21
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine

2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine (PubChem CID 114225798) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
PubChem CID114225798
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
SMILESCCC1OCCC1C(CC1CCC(F)(F)C1)NC
InChIInChI=1S/C14H25F2NO/c1-3-13-11(5-7-18-13)12(17-2)8-10-4-6-14(15,16)9-10/h10-13,17H,3-9H2,1-2H3
InChIKeyKBVAZZRUGNUXQP-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 114224832
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 114225779
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
CID 114104266
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
CID 114104284
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine
CID 114104480
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine (CID 114225798) is 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine is CCC1OCCC1C(CC1CCC(F)(F)C1)NC.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine?
The InChIKey is KBVAZZRUGNUXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-3-13-11(5-7-18-13)12(17-2)8-10-4-6-14(15,16)9-10/h10-13,17H,3-9H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine?
2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine is sourced from PubChem (CID 114225798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).