3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline

C15H18N4O2 — CID 80924180

IUPAC3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17-16)15(14)19(20)21/h2-9,17H,10-11,16H2,1H3
InChIKeyHSTKMTCIUOLQRM-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.56
Rot. Bonds6

About 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline

3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline (PubChem CID 80924180) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
PubChem CID80924180
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17-16)15(14)19(20)21/h2-9,17H,10-11,16H2,1H3
InChIKeyHSTKMTCIUOLQRM-UHFFFAOYSA-N
XLogP2.56
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.56
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-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
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-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline (CID 80924180) is 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline is CN(CCc1ccccc1)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline?
The InChIKey is HSTKMTCIUOLQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17-16)15(14)19(20)21/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline?
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline is sourced from PubChem (CID 80924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).