N-methyl-4-nitro-N-phenylaniline

C13H12N2O2 — CID 11287619

IUPACN-methyl-4-nitro-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O2/c1-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10H,1H3
InChIKeyFVFQVUSECGNYPG-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.36
Rot. Bonds3

About N-methyl-4-nitro-N-phenylaniline

N-methyl-4-nitro-N-phenylaniline (PubChem CID 11287619) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-methyl-4-nitro-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-nitro-N-phenylaniline
PubChem CID11287619
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-methyl-4-nitro-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O2/c1-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10H,1H3
InChIKeyFVFQVUSECGNYPG-UHFFFAOYSA-N
XLogP3.36
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
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-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
4-(4-nitrophenoxy)-N,N-diphenylaniline
CID 132556433
N-methyl-4-nitro-N-phenylsulfanylaniline
CID 11097305
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 59431971
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(4-nitrophenyl)-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 158367114
methyl 2-(N-(4-nitrophenyl)anilino)acetate
CID 54362794
(4Z)-4-[[4-(N-methylanilino)phenyl]methylidene]-3-(4-nitrophenyl)-1,2-oxazol-5-one
CID 2177190
1-methyl-1-[(4-nitrophenyl)-phenylmethyl]-2,2-diphenylhydrazine
CID 160842262
4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline
CID 15438483
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-methyl-4-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;4-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 159699120

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-phenylaniline?
The IUPAC name of N-methyl-4-nitro-N-phenylaniline (CID 11287619) is N-methyl-4-nitro-N-phenylaniline.
What is the SMILES notation for N-methyl-4-nitro-N-phenylaniline?
The canonical SMILES for N-methyl-4-nitro-N-phenylaniline is CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitro-N-phenylaniline?
The InChIKey is FVFQVUSECGNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10H,1H3.
What are the key properties of N-methyl-4-nitro-N-phenylaniline?
N-methyl-4-nitro-N-phenylaniline has a molecular weight of 228.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-phenylaniline is sourced from PubChem (CID 11287619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).