N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C21H30FNO2 — CID 70751586

IUPACN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFc1ccccc1C1(CNC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C21H30FNO2/c22-19-6-2-1-5-18(19)20(8-3-4-9-20)16-23-17-7-12-25-21(15-17)10-13-24-14-11-21/h1-2,5-6,17,23H,3-4,7-16H2
InChIKeyAJNWBDXHCGGTSK-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.96
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70751586) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70751586
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFc1ccccc1C1(CNC2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C21H30FNO2/c22-19-6-2-1-5-18(19)20(8-3-4-9-20)16-23-17-7-12-25-21(15-17)10-13-24-14-11-21/h1-2,5-6,17,23H,3-4,7-16H2
InChIKeyAJNWBDXHCGGTSK-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70751586) is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is Fc1ccccc1C1(CNC2CCOC3(CCOCC3)C2)CCCC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is AJNWBDXHCGGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c22-19-6-2-1-5-18(19)20(8-3-4-9-20)16-23-17-7-12-25-21(15-17)10-13-24-14-11-21/h1-2,5-6,17,23H,3-4,7-16H2.
What are the key properties of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70751586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).