2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline

C14H13N3O2 — CID 9014623

IUPAC2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
SMILESCc1ccccc1N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O2/c1-11-6-2-4-8-13(11)16-15-10-12-7-3-5-9-14(12)17(18)19/h2-10,16H,1H3/b15-10-
InChIKeyHCFAPEPKQOLTLR-GDNBJRDFSA-N
MW255.28 g/mol
LogP3.35
Rot. Bonds4

About 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline

2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline (PubChem CID 9014623) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
PubChem CID9014623
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
SMILESCc1ccccc1N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O2/c1-11-6-2-4-8-13(11)16-15-10-12-7-3-5-9-14(12)17(18)19/h2-10,16H,1H3/b15-10-
InChIKeyHCFAPEPKQOLTLR-GDNBJRDFSA-N
XLogP3.35
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.35
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

2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45480921
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
6-methyl-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135949852
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
2-methyl-N-[(2-nitrophenyl)methylideneamino]propan-2-amine;hydrochloride
CID 73242777
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203
N-[(2-nitrophenyl)methylideneamino]formamide
CID 2795189
6-tert-butyl-3-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135500693
6-tert-butyl-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135799281
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline (CID 9014623) is 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline is Cc1ccccc1N/N=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline?
The InChIKey is HCFAPEPKQOLTLR-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-11-6-2-4-8-13(11)16-15-10-12-7-3-5-9-14(12)17(18)19/h2-10,16H,1H3/b15-10-.
What are the key properties of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline?
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline has a molecular weight of 255.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 9014623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).