5-methoxy-2-nitro-N,N-diphenylaniline

C19H16N2O3 — CID 67365433

IUPAC5-methoxy-2-nitro-N,N-diphenylaniline
SMILESCOc1ccc([N+](=O)[O-])c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c1-24-17-12-13-18(21(22)23)19(14-17)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyLBTLJWBGVVWFFM-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.07
Rot. Bonds5

About 5-methoxy-2-nitro-N,N-diphenylaniline

5-methoxy-2-nitro-N,N-diphenylaniline (PubChem CID 67365433) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N,N-diphenylaniline.

Molecular Properties

Compound Name5-methoxy-2-nitro-N,N-diphenylaniline
PubChem CID67365433
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name5-methoxy-2-nitro-N,N-diphenylaniline
SMILESCOc1ccc([N+](=O)[O-])c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c1-24-17-12-13-18(21(22)23)19(14-17)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyLBTLJWBGVVWFFM-UHFFFAOYSA-N
XLogP5.07
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate
CID 141127890
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-methoxy-2-nitro-1-phenylselanylbenzene
CID 141490695
3-(N-methylanilino)-4-nitrobenzoic acid
CID 82784151
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
1-[(5-methoxy-N-methyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 115868661

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N,N-diphenylaniline?
The IUPAC name of 5-methoxy-2-nitro-N,N-diphenylaniline (CID 67365433) is 5-methoxy-2-nitro-N,N-diphenylaniline.
What is the SMILES notation for 5-methoxy-2-nitro-N,N-diphenylaniline?
The canonical SMILES for 5-methoxy-2-nitro-N,N-diphenylaniline is COc1ccc([N+](=O)[O-])c(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-methoxy-2-nitro-N,N-diphenylaniline?
The InChIKey is LBTLJWBGVVWFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-17-12-13-18(21(22)23)19(14-17)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of 5-methoxy-2-nitro-N,N-diphenylaniline?
5-methoxy-2-nitro-N,N-diphenylaniline has a molecular weight of 320.35 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N,N-diphenylaniline is sourced from PubChem (CID 67365433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).