N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline

C14H15F3N2O2 — CID 61482384

IUPACN-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-7-10(19(20)21)5-6-12(11)18-13(8-1-2-8)9-3-4-9/h5-9,13,18H,1-4H2
InChIKeyBGMSBGDYVJVSFN-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.21
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline

N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline (PubChem CID 61482384) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
PubChem CID61482384
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-7-10(19(20)21)5-6-12(11)18-13(8-1-2-8)9-3-4-9/h5-9,13,18H,1-4H2
InChIKeyBGMSBGDYVJVSFN-UHFFFAOYSA-N
XLogP4.21
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.21
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-cyclopentyl-4-nitro-2-(trifluoromethyl)aniline
CID 54935524
2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
CID 43718933
N-(3,3-dimethylbutan-2-yl)-4-nitro-2-(trifluoromethyl)aniline
CID 104828660
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716
N-(2-methylcyclopentyl)-4-nitro-2-(trifluoromethyl)aniline
CID 63540588
N-(dicyclopropylmethyl)-4-nitroaniline
CID 43425665
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
N-[(3-methylcyclopentyl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 107413783
N-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63318856
4-nitro-2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63227270
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
N-[4-nitro-2-(trifluoromethyl)phenyl]-N'-propan-2-ylethane-1,2-diamine
CID 62665379

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline (CID 61482384) is N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline is O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline?
The InChIKey is BGMSBGDYVJVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)11-7-10(19(20)21)5-6-12(11)18-13(8-1-2-8)9-3-4-9/h5-9,13,18H,1-4H2.
What are the key properties of N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline?
N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline has a molecular weight of 300.28 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 61482384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).