[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine

C13H17FN2O3 — CID 107349967

IUPAC[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H17FN2O3/c14-13-10(4-1-5-11(13)16(17)18)8-19-12-6-2-3-9(12)7-15/h1,4-5,9,12H,2-3,6-8,15H2
InChIKeyICQBONNKZTTWSO-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.38
Rot. Bonds5

About [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine

[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine (PubChem CID 107349967) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine
PubChem CID107349967
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H17FN2O3/c14-13-10(4-1-5-11(13)16(17)18)8-19-12-6-2-3-9(12)7-15/h1,4-5,9,12H,2-3,6-8,15H2
InChIKeyICQBONNKZTTWSO-UHFFFAOYSA-N
XLogP2.38
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 107350337
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
2-cyclobutyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349447
[2-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 102877277
CID 159928766
CID 159928766
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769
2-[(4-bromo-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 114381940
[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 107348052
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzonitrile
CID 107115121

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine (CID 107349967) is [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine is NCC1CCCC1OCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine?
The InChIKey is ICQBONNKZTTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-13-10(4-1-5-11(13)16(17)18)8-19-12-6-2-3-9(12)7-15/h1,4-5,9,12H,2-3,6-8,15H2.
What are the key properties of [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine?
[2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine has a molecular weight of 268.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluoro-3-nitrophenyl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 107349967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).