2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine

C15H15FN2O3 — CID 114416740

IUPAC2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
SMILESCc1cc(OCC(N)c2ccccc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10-7-15(12(16)8-14(10)18(19)20)21-9-13(17)11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3
InChIKeyNDWNNSDLHOYKKO-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine

2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine (PubChem CID 114416740) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
PubChem CID114416740
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
SMILESCc1cc(OCC(N)c2ccccc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10-7-15(12(16)8-14(10)18(19)20)21-9-13(17)11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3
InChIKeyNDWNNSDLHOYKKO-UHFFFAOYSA-N
XLogP3.12
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
1-amino-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 114416438
2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
CID 63773458
3-(2-fluoro-5-methyl-4-nitrophenoxy)-2-(propan-2-ylamino)propanoic acid
CID 114417820
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
N'-(4-fluoro-5-methyl-2-nitrophenyl)-1-phenylethane-1,2-diamine
CID 103594153
3,3,3-trifluoro-2-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]propanenitrile
CID 103368453
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
N-tert-butyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpropan-1-amine
CID 114417430
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 103160727
2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
CID 114673476

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine?
The IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine (CID 114416740) is 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine is Cc1cc(OCC(N)c2ccccc2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine?
The InChIKey is NDWNNSDLHOYKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-7-15(12(16)8-14(10)18(19)20)21-9-13(17)11-5-3-2-4-6-11/h2-8,13H,9,17H2,1H3.
What are the key properties of 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine?
2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine is sourced from PubChem (CID 114416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).