3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline

C15H18N4O2 — CID 80913076

IUPAC3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
SMILESCc1ccc(CN(C)c2cccc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O2/c1-11-6-8-12(9-7-11)10-18(2)14-5-3-4-13(17-16)15(14)19(20)21/h3-9,17H,10,16H2,1-2H3
InChIKeyJAJRYMBMRWRVNW-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.83
Rot. Bonds5

About 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline

3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline (PubChem CID 80913076) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
PubChem CID80913076
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
SMILESCc1ccc(CN(C)c2cccc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O2/c1-11-6-8-12(9-7-11)10-18(2)14-5-3-4-13(17-16)15(14)19(20)21/h3-9,17H,10,16H2,1-2H3
InChIKeyJAJRYMBMRWRVNW-UHFFFAOYSA-N
XLogP2.83
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 61395066
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
CID 61397771
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline (CID 80913076) is 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline is Cc1ccc(CN(C)c2cccc(NN)c2[N+](=O)[O-])cc1.
What is the InChIKey of 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline?
The InChIKey is JAJRYMBMRWRVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-6-8-12(9-7-11)10-18(2)14-5-3-4-13(17-16)15(14)19(20)21/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline?
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline has a molecular weight of 286.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline is sourced from PubChem (CID 80913076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).