N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C15H21FN2O2 — CID 107349277

IUPACN-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2cccc([N+](=O)[O-])c2F)C1(C)C
InChIInChI=1S/C15H21FN2O2/c1-14(2)12(15(14,3)4)9-17-8-10-6-5-7-11(13(10)16)18(19)20/h5-7,12,17H,8-9H2,1-4H3
InChIKeyOFSJSZNDXZWCMR-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.51
Rot. Bonds5

About N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 107349277) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID107349277
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2cccc([N+](=O)[O-])c2F)C1(C)C
InChIInChI=1S/C15H21FN2O2/c1-14(2)12(15(14,3)4)9-17-8-10-6-5-7-11(13(10)16)18(19)20/h5-7,12,17H,8-9H2,1-4H3
InChIKeyOFSJSZNDXZWCMR-UHFFFAOYSA-N
XLogP3.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.51
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

N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79357939
3-[[(2-fluoro-3-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129534
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
4,4,4-trifluoro-N-[(2-fluoro-3-nitrophenyl)methyl]butan-1-amine
CID 107349368
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
2-cyclobutyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349447
2-ethylsulfinyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349466
3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
CID 107349266
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 107349277) is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(CNCc2cccc([N+](=O)[O-])c2F)C1(C)C.
What is the InChIKey of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is OFSJSZNDXZWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-14(2)12(15(14,3)4)9-17-8-10-6-5-7-11(13(10)16)18(19)20/h5-7,12,17H,8-9H2,1-4H3.
What are the key properties of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 280.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 107349277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).