2-methyl-5-nitro-N-(2-phenoxyethyl)aniline

C15H16N2O3 — CID 60720575

IUPAC2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCOc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-12-7-8-13(17(18)19)11-15(12)16-9-10-20-14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3
InChIKeyOJSZSCWKIUWNIA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.39
Rot. Bonds6

About 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline

2-methyl-5-nitro-N-(2-phenoxyethyl)aniline (PubChem CID 60720575) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
PubChem CID60720575
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCOc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-12-7-8-13(17(18)19)11-15(12)16-9-10-20-14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3
InChIKeyOJSZSCWKIUWNIA-UHFFFAOYSA-N
XLogP3.39
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.39
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

2-methyl-N-[3-(3-methylphenoxy)propyl]-5-nitroaniline
CID 82096153
3-methyl-2-nitro-N-(2-phenoxyethyl)aniline
CID 102604997
2-bromo-N-[2-(3-methylphenoxy)ethyl]-4-nitroaniline
CID 63540119
N-(4-methoxybutyl)-2-methyl-5-nitroaniline
CID 55091211
2,6-dichloro-4-nitro-N-(2-phenoxyethyl)aniline
CID 106891512
actinium;2-(2-methyl-5-nitroanilino)ethylazanide
CID 21364796
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
6-nitro-N-(2-phenoxyethyl)-1,3-benzothiazol-2-amine
CID 53297729
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline?
The IUPAC name of 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline (CID 60720575) is 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline is Cc1ccc([N+](=O)[O-])cc1NCCOc1ccccc1.
What is the InChIKey of 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline?
The InChIKey is OJSZSCWKIUWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-12-7-8-13(17(18)19)11-15(12)16-9-10-20-14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline?
2-methyl-5-nitro-N-(2-phenoxyethyl)aniline has a molecular weight of 272.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 60720575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).