1-(4-fluoro-3-nitrophenyl)propan-1-amine

C9H11FN2O2 — CID 55272353

IUPAC1-(4-fluoro-3-nitrophenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11FN2O2/c1-2-8(11)6-3-4-7(10)9(5-6)12(13)14/h3-5,8H,2,11H2,1H3
InChIKeyQAGQUIHXCDNVDE-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)propan-1-amine

1-(4-fluoro-3-nitrophenyl)propan-1-amine (PubChem CID 55272353) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)propan-1-amine
PubChem CID55272353
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-(4-fluoro-3-nitrophenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11FN2O2/c1-2-8(11)6-3-4-7(10)9(5-6)12(13)14/h3-5,8H,2,11H2,1H3
InChIKeyQAGQUIHXCDNVDE-UHFFFAOYSA-N
XLogP2.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.14
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

(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
ethyl (3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanoate;hydrochloride
CID 171226600
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301
3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
CID 170875972
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanenitrile
CID 131558946
(1S)-1-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131625230
2-(4-fluoro-3-nitrophenyl)butanenitrile
CID 130303070
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-nitrophenyl)ethanamine
CID 66511172
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248708
1-[4-[(1R)-1-aminopropyl]-2-nitrophenyl]-3-methylbutan-1-one
CID 174655658

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)propan-1-amine (CID 55272353) is 1-(4-fluoro-3-nitrophenyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)propan-1-amine is CCC(N)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)propan-1-amine?
The InChIKey is QAGQUIHXCDNVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-8(11)6-3-4-7(10)9(5-6)12(13)14/h3-5,8H,2,11H2,1H3.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)propan-1-amine?
1-(4-fluoro-3-nitrophenyl)propan-1-amine has a molecular weight of 198.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)propan-1-amine is sourced from PubChem (CID 55272353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).