2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

C13H23F2NO — CID 114223827

IUPAC2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESFC1(F)CCC(CNCCOC2CCCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-5-11(9-13)10-16-7-8-17-12-3-1-2-4-12/h11-12,16H,1-10H2
InChIKeyGFNQKHLSUMLHFP-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.97
Rot. Bonds6

About 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (PubChem CID 114223827) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
PubChem CID114223827
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESFC1(F)CCC(CNCCOC2CCCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-5-11(9-13)10-16-7-8-17-12-3-1-2-4-12/h11-12,16H,1-10H2
InChIKeyGFNQKHLSUMLHFP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
2-cyclopentyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490391
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490524
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
CID 62110920
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755287
N-(2-cyclopentyloxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757880
N-(2-cyclopentyloxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (CID 114223827) is 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is FC1(F)CCC(CNCCOC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The InChIKey is GFNQKHLSUMLHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)6-5-11(9-13)10-16-7-8-17-12-3-1-2-4-12/h11-12,16H,1-10H2.
What are the key properties of 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine has a molecular weight of 247.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is sourced from PubChem (CID 114223827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).