1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine

C15H16N2O2 — CID 60664546

IUPAC1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyAEKDRVUAAFKEFZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine

1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine (PubChem CID 60664546) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
PubChem CID60664546
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyAEKDRVUAAFKEFZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
N-[(5-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)methanamine
CID 78998966
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
2-[[(2-nitrophenyl)methylamino]methyl]benzoic acid
CID 103245839
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanamine
CID 79579430
1-(4-methoxy-3-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60777643
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264
2-chloro-N-[(2-methylphenyl)methyl]-6-nitroaniline
CID 55032781
4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol
CID 103637396

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine (CID 60664546) is 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine is Cc1ccccc1CNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The InChIKey is AEKDRVUAAFKEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine has a molecular weight of 256.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 60664546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).