5-methoxy-N-(4-methylphenyl)-2-nitroaniline

C14H14N2O3 — CID 67365056

IUPAC5-methoxy-N-(4-methylphenyl)-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(Nc2ccc(C)cc2)c1
InChIInChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)15-13-9-12(19-2)7-8-14(13)16(17)18/h3-9,15H,1-2H3
InChIKeyLBHPVCCWBMCPPN-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.66
Rot. Bonds4

About 5-methoxy-N-(4-methylphenyl)-2-nitroaniline

5-methoxy-N-(4-methylphenyl)-2-nitroaniline (PubChem CID 67365056) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-methoxy-N-(4-methylphenyl)-2-nitroaniline.

Molecular Properties

Compound Name5-methoxy-N-(4-methylphenyl)-2-nitroaniline
PubChem CID67365056
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-methoxy-N-(4-methylphenyl)-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(Nc2ccc(C)cc2)c1
InChIInChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)15-13-9-12(19-2)7-8-14(13)16(17)18/h3-9,15H,1-2H3
InChIKeyLBHPVCCWBMCPPN-UHFFFAOYSA-N
XLogP3.66
TPSA64.40 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 ≤ 53.66
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

5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
CID 18994149
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
3-(4-methylanilino)-4-nitrobenzoic acid
CID 82784566
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
1-methoxy-N-(4-methylphenyl)-4-nitropyridin-1-ium-3-amine
CID 138566613
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
3-chloro-N-(5-methoxy-2-nitrophenyl)pyridin-4-amine
CID 169316055
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
2-N-(5-methoxy-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 118101516
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
1-(5-methoxy-2-methylphenyl)-2-(4-methyl-2-nitrophenyl)hydrazine
CID 177028501
5-methoxy-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-nitroaniline
CID 172677976

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methylphenyl)-2-nitroaniline?
The IUPAC name of 5-methoxy-N-(4-methylphenyl)-2-nitroaniline (CID 67365056) is 5-methoxy-N-(4-methylphenyl)-2-nitroaniline.
What is the SMILES notation for 5-methoxy-N-(4-methylphenyl)-2-nitroaniline?
The canonical SMILES for 5-methoxy-N-(4-methylphenyl)-2-nitroaniline is COc1ccc([N+](=O)[O-])c(Nc2ccc(C)cc2)c1.
What is the InChIKey of 5-methoxy-N-(4-methylphenyl)-2-nitroaniline?
The InChIKey is LBHPVCCWBMCPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)15-13-9-12(19-2)7-8-14(13)16(17)18/h3-9,15H,1-2H3.
What are the key properties of 5-methoxy-N-(4-methylphenyl)-2-nitroaniline?
5-methoxy-N-(4-methylphenyl)-2-nitroaniline has a molecular weight of 258.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methylphenyl)-2-nitroaniline is sourced from PubChem (CID 67365056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).