[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine

C12H15FN2O2 — CID 65394864

IUPAC[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C12H15FN2O2/c13-10-2-3-11(15(16)17)9(6-10)7-12(8-14)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2
InChIKeyCVZDCNLRFVBFEL-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.41
Rot. Bonds4

About [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine

[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine (PubChem CID 65394864) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
PubChem CID65394864
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C12H15FN2O2/c13-10-2-3-11(15(16)17)9(6-10)7-12(8-14)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2
InChIKeyCVZDCNLRFVBFEL-UHFFFAOYSA-N
XLogP2.41
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.41
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-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630
1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 65020301
[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103966376
1-[(5-fluoro-2-nitrophenyl)methyl]cyclohexane-1-carboxylic acid
CID 62739549
1-[(5-fluoro-2-nitrophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390110
[1-[(4-bromo-2-nitrophenyl)methyl]cyclohexyl]methanamine
CID 114382765
[1-[(4-bromo-2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 114382779
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
4-[(5-fluoro-2-nitrophenyl)methyl]oxane-4-carbonitrile
CID 65393754
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine (CID 65394864) is [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine is NCC1(Cc2cc(F)ccc2[N+](=O)[O-])CCC1.
What is the InChIKey of [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is CVZDCNLRFVBFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-2-3-11(15(16)17)9(6-10)7-12(8-14)4-1-5-12/h2-3,6H,1,4-5,7-8,14H2.
What are the key properties of [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine?
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 238.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 65394864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).