[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine

C12H15FN2O2 — CID 83412144

IUPAC[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(15(16)17)3-4-10(11)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyBBIODLQCNBETQA-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.50
Rot. Bonds3

About [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine

[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine (PubChem CID 83412144) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
PubChem CID83412144
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(15(16)17)3-4-10(11)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyBBIODLQCNBETQA-UHFFFAOYSA-N
XLogP2.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
CID 83412153
2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
CID 117317956
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546
[1-(3,4-difluoro-5-nitrophenyl)cyclobutyl]methanamine
CID 117357181
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid
CID 64700773

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine (CID 83412144) is [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine is NCC1(c2ccc([N+](=O)[O-])cc2F)CCCC1.
What is the InChIKey of [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine?
The InChIKey is BBIODLQCNBETQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-7-9(15(16)17)3-4-10(11)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2.
What are the key properties of [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine?
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine has a molecular weight of 238.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 83412144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).