N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine

C13H19FN2O3 — CID 62369349

IUPACN-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19FN2O3/c1-13(2,3)15-7-4-8-19-12-6-5-10(14)9-11(12)16(17)18/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyADMFIUXENXBTEI-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.89
Rot. Bonds6

About N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine

N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 62369349) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine
PubChem CID62369349
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC NameN-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19FN2O3/c1-13(2,3)15-7-4-8-19-12-6-5-10(14)9-11(12)16(17)18/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyADMFIUXENXBTEI-UHFFFAOYSA-N
XLogP2.89
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(4-methyl-2-nitrophenoxy)butan-1-amine
CID 2296570
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
5-(4-fluoro-2-nitrophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 62368041
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
4-(2-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 62450936
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
(4-fluoro-2-nitrophenyl) N-tert-butylcarbamate
CID 174510281
3-(5-fluoro-2-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015946
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine (CID 62369349) is N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCOc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is ADMFIUXENXBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-13(2,3)15-7-4-8-19-12-6-5-10(14)9-11(12)16(17)18/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine?
N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 270.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-2-nitrophenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62369349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).