[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine

C13H17FN2O3 — CID 117424334

IUPAC[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C1(CN)CCCC1
InChIInChI=1S/C13H17FN2O3/c1-19-12-10(13(8-15)4-2-3-5-13)6-9(16(17)18)7-11(12)14/h6-7H,2-5,8,15H2,1H3
InChIKeySDDMCJVIJXCILC-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.51
Rot. Bonds4

About [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine

[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine (PubChem CID 117424334) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
PubChem CID117424334
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C1(CN)CCCC1
InChIInChI=1S/C13H17FN2O3/c1-19-12-10(13(8-15)4-2-3-5-13)6-9(16(17)18)7-11(12)14/h6-7H,2-5,8,15H2,1H3
InChIKeySDDMCJVIJXCILC-UHFFFAOYSA-N
XLogP2.51
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.51
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-(3-fluoro-2-methoxy-5-nitrophenyl)cyclohexan-1-amine
CID 117424308
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
CID 117455172
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
1-fluoro-3-(1-isocyanatocyclopentyl)-2-methoxy-5-nitrobenzene
CID 117449699
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
1-fluoro-3-(1-isocyanatocyclobutyl)-2-methoxy-5-nitrobenzene
CID 117419254
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine (CID 117424334) is [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine is COc1c(F)cc([N+](=O)[O-])cc1C1(CN)CCCC1.
What is the InChIKey of [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine?
The InChIKey is SDDMCJVIJXCILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-19-12-10(13(8-15)4-2-3-5-13)6-9(16(17)18)7-11(12)14/h6-7H,2-5,8,15H2,1H3.
What are the key properties of [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine?
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine has a molecular weight of 268.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117424334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).