N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine

C15H21F2NO — CID 103924748

IUPACN-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1cccc(F)c1F
InChIInChI=1S/C15H21F2NO/c1-11(13-7-4-8-14(16)15(13)17)18-9-10-19-12-5-2-3-6-12/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3
InChIKeyFPEXZWUPJMXLCD-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine

N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine (PubChem CID 103924748) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
PubChem CID103924748
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1cccc(F)c1F
InChIInChI=1S/C15H21F2NO/c1-11(13-7-4-8-14(16)15(13)17)18-9-10-19-12-5-2-3-6-12/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3
InChIKeyFPEXZWUPJMXLCD-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
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

N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
N-[1-(2,3-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103924760
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine
CID 114058345
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 103924762
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine (CID 103924748) is N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine is CC(NCCOC1CCCC1)c1cccc(F)c1F.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine?
The InChIKey is FPEXZWUPJMXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(13-7-4-8-14(16)15(13)17)18-9-10-19-12-5-2-3-6-12/h4,7-8,11-12,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine?
N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 103924748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).