N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine

C9H11FN2O2 — CID 43443488

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-11-6-7-5-8(10)3-4-9(7)12(13)14/h3-5,11H,2,6H2,1H3
InChIKeyNCSRWEOEZLYJON-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.84
Rot. Bonds4

About N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine

N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine (PubChem CID 43443488) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
PubChem CID43443488
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-11-6-7-5-8(10)3-4-9(7)12(13)14/h3-5,11H,2,6H2,1H3
InChIKeyNCSRWEOEZLYJON-UHFFFAOYSA-N
XLogP1.84
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.84
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-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
1-(5-ethylthiophen-2-yl)-N-[(5-fluoro-2-nitrophenyl)methyl]methanamine
CID 106010790
3-ethyl-N-[(5-fluoro-2-nitrophenyl)methyl]pentan-3-amine
CID 65039232
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
N-[[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405526
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
1-cyclopropyl-2-[(5-fluoro-2-nitrophenyl)methylamino]ethanol
CID 63296533
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443560
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine (CID 43443488) is N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine is CCNCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine?
The InChIKey is NCSRWEOEZLYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-11-6-7-5-8(10)3-4-9(7)12(13)14/h3-5,11H,2,6H2,1H3.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine?
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine has a molecular weight of 198.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43443488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).