3-(5-fluoro-2-nitrophenyl)propan-1-amine

C9H11FN2O2 — CID 43445800

IUPAC3-(5-fluoro-2-nitrophenyl)propan-1-amine
SMILESNCCCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c10-8-3-4-9(12(13)14)7(6-8)2-1-5-11/h3-4,6H,1-2,5,11H2
InChIKeyMHVMMBCHBNGAOI-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.63
Rot. Bonds4

About 3-(5-fluoro-2-nitrophenyl)propan-1-amine

3-(5-fluoro-2-nitrophenyl)propan-1-amine (PubChem CID 43445800) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenyl)propan-1-amine
PubChem CID43445800
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-(5-fluoro-2-nitrophenyl)propan-1-amine
SMILESNCCCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c10-8-3-4-9(12(13)14)7(6-8)2-1-5-11/h3-4,6H,1-2,5,11H2
InChIKeyMHVMMBCHBNGAOI-UHFFFAOYSA-N
XLogP1.63
TPSA69.16 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 ≤ 51.63
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-(3-chloropropyl)-4-fluoro-1-nitrobenzene
CID 118818885
3-[(5-fluoro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344042
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
N'-[(5-fluoro-2-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 81493923
3-(2-nitrophenyl)propan-1-amine
CID 15715793
5-amino-2-[(5-fluoro-2-nitrophenyl)methyl]pentanoic acid
CID 104681163
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine
CID 43443720
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171205999
4-(2-nitrophenyl)butan-1-amine;hydrochloride
CID 11322189
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-nitrophenyl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2-nitrophenyl)propan-1-amine (CID 43445800) is 3-(5-fluoro-2-nitrophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-nitrophenyl)propan-1-amine is NCCCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-fluoro-2-nitrophenyl)propan-1-amine?
The InChIKey is MHVMMBCHBNGAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-3-4-9(12(13)14)7(6-8)2-1-5-11/h3-4,6H,1-2,5,11H2.
What are the key properties of 3-(5-fluoro-2-nitrophenyl)propan-1-amine?
3-(5-fluoro-2-nitrophenyl)propan-1-amine has a molecular weight of 198.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenyl)propan-1-amine is sourced from PubChem (CID 43445800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).