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

C11H15FN2O2 — CID 112649483

IUPAC1-(3-fluoro-5-nitrophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O2/c1-2-3-10(13)5-8-4-9(12)7-11(6-8)14(15)16/h4,6-7,10H,2-3,5,13H2,1H3
InChIKeyAVSDUFNGYBMBOH-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.40
Rot. Bonds5

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

1-(3-fluoro-5-nitrophenyl)pentan-2-amine (PubChem CID 112649483) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenyl)pentan-2-amine
PubChem CID112649483
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-(3-fluoro-5-nitrophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O2/c1-2-3-10(13)5-8-4-9(12)7-11(6-8)14(15)16/h4,6-7,10H,2-3,5,13H2,1H3
InChIKeyAVSDUFNGYBMBOH-UHFFFAOYSA-N
XLogP2.40
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.40
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

1-(3-fluoro-5-nitrophenyl)hexan-3-amine
CID 112647976
1-(3-nitrophenyl)pentan-2-amine
CID 65019651
1-(3-chlorohexyl)-3-fluoro-5-nitrobenzene
CID 112649000
1-(3-chloro-2-methylbutyl)-3-fluoro-5-nitrobenzene
CID 112649007
3-[(3-fluoro-5-nitrophenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 115980845
N-ethyl-3-[(3-fluoro-5-nitrophenyl)methyl]-4-methylpentan-2-amine
CID 115980844
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
N-[(3-fluoro-5-nitrophenyl)methyl]heptan-2-amine
CID 112646705
1-(3-fluoro-5-nitrophenyl)-4-methylpentan-3-ol
CID 112648964
3-fluoro-5-nitro-N-pentan-2-ylaniline
CID 60876122
1-[4-nitro-3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63196886
1-(2-chloro-4-nitrophenyl)pentan-2-amine
CID 63196335

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenyl)pentan-2-amine?
The IUPAC name of 1-(3-fluoro-5-nitrophenyl)pentan-2-amine (CID 112649483) is 1-(3-fluoro-5-nitrophenyl)pentan-2-amine.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenyl)pentan-2-amine?
The canonical SMILES for 1-(3-fluoro-5-nitrophenyl)pentan-2-amine is CCCC(N)Cc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenyl)pentan-2-amine?
The InChIKey is AVSDUFNGYBMBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-3-10(13)5-8-4-9(12)7-11(6-8)14(15)16/h4,6-7,10H,2-3,5,13H2,1H3.
What are the key properties of 1-(3-fluoro-5-nitrophenyl)pentan-2-amine?
1-(3-fluoro-5-nitrophenyl)pentan-2-amine has a molecular weight of 226.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitrophenyl)pentan-2-amine is sourced from PubChem (CID 112649483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).