N-(dicyclopropylmethyl)-4-nitroaniline

C13H16N2O2 — CID 43425665

IUPACN-(dicyclopropylmethyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)12-7-5-11(6-8-12)14-13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4H2
InChIKeyHISHLUJMRZIESE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.20
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-nitroaniline

N-(dicyclopropylmethyl)-4-nitroaniline (PubChem CID 43425665) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-nitroaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-nitroaniline
PubChem CID43425665
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(dicyclopropylmethyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)12-7-5-11(6-8-12)14-13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4H2
InChIKeyHISHLUJMRZIESE-UHFFFAOYSA-N
XLogP3.20
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-(dicyclopropylmethyl)-6-nitropyridin-3-amine
CID 62542739
N-(dicyclopropylmethyl)-4-methyl-3-nitroaniline
CID 43718375
2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
CID 43718933
N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 61482384
4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
1-(dicyclohexylmethyl)-3-(4-nitrophenyl)urea
CID 67647172
N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
N-bromo-4-nitroaniline
CID 54285277
4-nitro-N-(1-pyrrolidin-1-ylethyl)aniline
CID 91987754
1-(4-nitrophenyl)-2-propan-2-ylhydrazine
CID 101164865
N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 24620724

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-nitroaniline?
The IUPAC name of N-(dicyclopropylmethyl)-4-nitroaniline (CID 43425665) is N-(dicyclopropylmethyl)-4-nitroaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-nitroaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-4-nitroaniline is O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-nitroaniline?
The InChIKey is HISHLUJMRZIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-15(17)12-7-5-11(6-8-12)14-13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4H2.
What are the key properties of N-(dicyclopropylmethyl)-4-nitroaniline?
N-(dicyclopropylmethyl)-4-nitroaniline has a molecular weight of 232.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-nitroaniline is sourced from PubChem (CID 43425665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).