[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

C13H16FNO2 — CID 117346782

IUPAC[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3c(c2F)OCO3)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-9(13(7-15)5-1-2-6-13)3-4-10-12(11)17-8-16-10/h3-4H,1-2,5-8,15H2
InChIKeyRXNZZBVXUHYFON-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.32
Rot. Bonds2

About [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (PubChem CID 117346782) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
PubChem CID117346782
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3c(c2F)OCO3)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-9(13(7-15)5-1-2-6-13)3-4-10-12(11)17-8-16-10/h3-4H,1-2,5-8,15H2
InChIKeyRXNZZBVXUHYFON-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117497241
[1-(4-methylsulfanyl-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117448417
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
[5-[1-(aminomethyl)cyclobutyl]-1,3-benzodioxol-4-yl]boronic acid
CID 117375091
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
4-[1-(aminomethyl)cyclopentyl]-1,3-benzodioxol-5-ol
CID 117342196
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117376470
6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
[1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117423233
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine (CID 117346782) is [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is NCC1(c2ccc3c(c2F)OCO3)CCCC1.
What is the InChIKey of [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
The InChIKey is RXNZZBVXUHYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-9(13(7-15)5-1-2-6-13)3-4-10-12(11)17-8-16-10/h3-4H,1-2,5-8,15H2.
What are the key properties of [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine?
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine has a molecular weight of 237.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117346782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).