3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline

C15H15N3O2 — CID 9060472

IUPAC3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
SMILESCc1cccc(N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15N3O2/c1-11-4-3-5-14(8-11)17-16-10-13-7-6-12(2)15(9-13)18(19)20/h3-10,17H,1-2H3/b16-10-
InChIKeyOZRRWIQIELIOGB-YBEGLDIGSA-N
MW269.30 g/mol
LogP3.66
Rot. Bonds4

About 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline

3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline (PubChem CID 9060472) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
PubChem CID9060472
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
SMILESCc1cccc(N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15N3O2/c1-11-4-3-5-14(8-11)17-16-10-13-7-6-12(2)15(9-13)18(19)20/h3-10,17H,1-2H3/b16-10-
InChIKeyOZRRWIQIELIOGB-YBEGLDIGSA-N
XLogP3.66
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031272
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060518
N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
CID 9059583
1-(3-methoxyphenyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea
CID 9256249
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-3-nitroaniline
CID 110842350
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline (CID 9060472) is 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline is Cc1cccc(N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline?
The InChIKey is OZRRWIQIELIOGB-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-4-3-5-14(8-11)17-16-10-13-7-6-12(2)15(9-13)18(19)20/h3-10,17H,1-2H3/b16-10-.
What are the key properties of 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline?
3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline has a molecular weight of 269.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 9060472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).