2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride

C8H10ClFN2O2 — CID 178200982

IUPAC2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O2.ClH/c9-7-2-1-6(3-4-10)5-8(7)11(12)13;/h1-2,5H,3-4,10H2;1H
InChIKeyBNLXMYHLOCSGFS-UHFFFAOYSA-N
MW220.63 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride

2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride (PubChem CID 178200982) has the molecular formula C8H10ClFN2O2 and a molecular weight of 220.63 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
PubChem CID178200982
Molecular FormulaC8H10ClFN2O2
Molecular Weight220.63 g/mol
Exact Mass220.04
IUPAC Name2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O2.ClH/c9-7-2-1-6(3-4-10)5-8(7)11(12)13;/h1-2,5H,3-4,10H2;1H
InChIKeyBNLXMYHLOCSGFS-UHFFFAOYSA-N
XLogP1.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 51.66
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

2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
1-fluoro-4-(isocyanomethyl)-2-nitrobenzene
CID 149135058
4-(2-bromo-2-methylpropyl)-1-fluoro-2-nitrobenzene
CID 82255130
4-(2-chloropropyl)-1-fluoro-2-nitrobenzene
CID 82255524
2-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanamine
CID 170868552
4-[4-(2-aminoethyl)-2-nitrophenyl]sulfanylaniline
CID 170868573
2-amino-4-[(4-(19F)fluoro-3-nitrophenyl)methyl]pentanedioic acid
CID 44514147
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
4-fluoro-3-nitrobenzenediazonium
CID 10901209
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride (CID 178200982) is 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride is Cl.NCCc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride?
The InChIKey is BNLXMYHLOCSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2.ClH/c9-7-2-1-6(3-4-10)5-8(7)11(12)13;/h1-2,5H,3-4,10H2;1H.
What are the key properties of 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride?
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride has a molecular weight of 220.63 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 178200982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).