N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine

C10H13FN2O3 — CID 62347822

IUPACN-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
SMILESCCNCCOc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13FN2O3/c1-2-12-3-4-16-10-6-8(11)5-9(7-10)13(14)15/h5-7,12H,2-4H2,1H3
InChIKeyGPIAQNWJKDCJOP-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine

N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine (PubChem CID 62347822) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
PubChem CID62347822
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
SMILESCCNCCOc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13FN2O3/c1-2-12-3-4-16-10-6-8(11)5-9(7-10)13(14)15/h5-7,12H,2-4H2,1H3
InChIKeyGPIAQNWJKDCJOP-UHFFFAOYSA-N
XLogP1.72
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.72
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-ethyl-2-(3-methyl-5-nitrophenoxy)ethanamine
CID 112649693
1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
CID 80752062
N-[2-(3-methoxy-5-nitrophenoxy)ethyl]propan-1-amine
CID 80743291
N-[2-(3-nitro-5-propan-2-yloxyphenoxy)ethyl]propan-1-amine
CID 80743431
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
3-(2,6-dibromo-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 62098666
1-fluoro-3-(2-methylbutan-2-yloxy)-5-nitrobenzene
CID 80752056
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine (CID 62347822) is N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine is CCNCCOc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine?
The InChIKey is GPIAQNWJKDCJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-2-12-3-4-16-10-6-8(11)5-9(7-10)13(14)15/h5-7,12H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine?
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine has a molecular weight of 228.22 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine is sourced from PubChem (CID 62347822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).