2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol

C15H16N2O3 — CID 115951296

IUPAC2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol
SMILESCc1ccc(NCc2cccc(C)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-13(14(8-10)17(19)20)16-9-12-5-3-4-11(2)15(12)18/h3-8,16,18H,9H2,1-2H3
InChIKeyRYPNUCFIIDTPAT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol

2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol (PubChem CID 115951296) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol
PubChem CID115951296
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol
SMILESCc1ccc(NCc2cccc(C)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-13(14(8-10)17(19)20)16-9-12-5-3-4-11(2)15(12)18/h3-8,16,18H,9H2,1-2H3
InChIKeyRYPNUCFIIDTPAT-UHFFFAOYSA-N
XLogP3.53
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,4-difluoro-5-nitroanilino)methyl]-6-methylphenol
CID 115951355
2-[(5-fluoro-2-nitroanilino)methyl]-6-methylphenol
CID 115951747
2-methyl-6-[(4-methyl-3-nitroanilino)methyl]phenol
CID 115951290
2-chloro-6-[(4-chloro-2-nitroanilino)methyl]phenol
CID 115951186
4-[(2,3-dihydroxyphenyl)methylamino]-3-nitrobenzonitrile
CID 78965081
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981762
N-[(3-methoxyphenyl)methyl]-4-methyl-2-nitroaniline
CID 43718638
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
N-[(4-chlorophenyl)methyl]-4-methyl-2-nitroaniline
CID 43349332
2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol (CID 115951296) is 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol is Cc1ccc(NCc2cccc(C)c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol?
The InChIKey is RYPNUCFIIDTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-7-13(14(8-10)17(19)20)16-9-12-5-3-4-11(2)15(12)18/h3-8,16,18H,9H2,1-2H3.
What are the key properties of 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol?
2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol has a molecular weight of 272.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methyl-2-nitroanilino)methyl]phenol is sourced from PubChem (CID 115951296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).