[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine

C14H14N2O3 — CID 54915748

IUPAC[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccccc2CN)c1
InChIInChI=1S/C14H14N2O3/c1-10-6-7-12(16(17)18)14(8-10)19-13-5-3-2-4-11(13)9-15/h2-8H,9,15H2,1H3
InChIKeyQOUMGCCHYLLHGJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.15
Rot. Bonds4

About [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine

[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine (PubChem CID 54915748) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
PubChem CID54915748
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccccc2CN)c1
InChIInChI=1S/C14H14N2O3/c1-10-6-7-12(16(17)18)14(8-10)19-13-5-3-2-4-11(13)9-15/h2-8H,9,15H2,1H3
InChIKeyQOUMGCCHYLLHGJ-UHFFFAOYSA-N
XLogP3.15
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.15
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

2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
3-(5-methyl-2-nitrophenoxy)-2-nitroaniline
CID 80879136
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine (CID 54915748) is [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine is Cc1ccc([N+](=O)[O-])c(Oc2ccccc2CN)c1.
What is the InChIKey of [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine?
The InChIKey is QOUMGCCHYLLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-6-7-12(16(17)18)14(8-10)19-13-5-3-2-4-11(13)9-15/h2-8H,9,15H2,1H3.
What are the key properties of [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine?
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine has a molecular weight of 258.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 54915748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).