5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol

C15H16N2O4 — CID 61261387

IUPAC5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
SMILESCOc1ccc(CNc2cc([N+](=O)[O-])ccc2C)c(O)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-12(17(19)20)7-14(10)16-9-11-4-6-13(21-2)8-15(11)18/h3-8,16,18H,9H2,1-2H3
InChIKeySLZRXWVFYMGILG-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.23
Rot. Bonds5

About 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol

5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol (PubChem CID 61261387) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
PubChem CID61261387
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
SMILESCOc1ccc(CNc2cc([N+](=O)[O-])ccc2C)c(O)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-12(17(19)20)7-14(10)16-9-11-4-6-13(21-2)8-15(11)18/h3-8,16,18H,9H2,1-2H3
InChIKeySLZRXWVFYMGILG-UHFFFAOYSA-N
XLogP3.23
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
N-[(2-chloro-5-nitrophenyl)methyl]-4-methoxy-2-methylaniline
CID 62868027
4-[(2-fluoro-5-nitroanilino)methyl]benzene-1,3-diol
CID 43719100
2,6-difluoro-4-[(2-methyl-5-nitroanilino)methyl]phenol
CID 79882741
2,6-dibromo-4-[(2-methyl-5-nitroanilino)methyl]phenol
CID 107740595
2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-(4-methoxybutyl)-2-methyl-5-nitroaniline
CID 55091211
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
5-methoxy-2-(2-methyl-5-nitroanilino)benzoic acid
CID 18505064
N-[(2-cyclopropylphenyl)methyl]-2-methyl-5-nitroaniline
CID 79970577

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol (CID 61261387) is 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol is COc1ccc(CNc2cc([N+](=O)[O-])ccc2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol?
The InChIKey is SLZRXWVFYMGILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-3-5-12(17(19)20)7-14(10)16-9-11-4-6-13(21-2)8-15(11)18/h3-8,16,18H,9H2,1-2H3.
What are the key properties of 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol?
5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol has a molecular weight of 288.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol is sourced from PubChem (CID 61261387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).