2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine

C13H17FN2O3 — CID 102634184

IUPAC2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H17FN2O3/c1-15-11-4-2-3-5-13(11)19-12-7-6-9(16(17)18)8-10(12)14/h6-8,11,13,15H,2-5H2,1H3
InChIKeyVSOXZEDBFXOMTE-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine

2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine (PubChem CID 102634184) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
PubChem CID102634184
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H17FN2O3/c1-15-11-4-2-3-5-13(11)19-12-7-6-9(16(17)18)8-10(12)14/h6-8,11,13,15H,2-5H2,1H3
InChIKeyVSOXZEDBFXOMTE-UHFFFAOYSA-N
XLogP2.64
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.64
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

N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634203
2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
CID 107304027
N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634307
2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633182
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 104673652
cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
CID 139548238
1-(3-bromo-2-ethoxycyclobutyl)oxy-2-fluoro-4-nitrobenzene
CID 113439946
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
2-(3-ethoxy-2-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634377
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine (CID 102634184) is 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is VSOXZEDBFXOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-15-11-4-2-3-5-13(11)19-12-7-6-9(16(17)18)8-10(12)14/h6-8,11,13,15H,2-5H2,1H3.
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine?
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 268.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102634184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).