2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline

C13H15ClN2O2 — CID 43718933

IUPAC2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)c(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H15ClN2O2/c14-11-6-5-10(16(17)18)7-12(11)15-13(8-1-2-8)9-3-4-9/h5-9,13,15H,1-4H2
InChIKeySQLODKSXNDGBIE-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.85
Rot. Bonds5

About 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline

2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline (PubChem CID 43718933) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
PubChem CID43718933
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)c(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H15ClN2O2/c14-11-6-5-10(16(17)18)7-12(11)15-13(8-1-2-8)9-3-4-9/h5-9,13,15H,1-4H2
InChIKeySQLODKSXNDGBIE-UHFFFAOYSA-N
XLogP3.85
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.85
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)-4-nitro-2-(trifluoromethyl)aniline
CID 61482384
2-chloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483376
N-(dicyclopropylmethyl)-4-nitroaniline
CID 43425665
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
2-chloro-5-nitro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881749
N-(2-chloro-5-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853205
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol
CID 55218910
2-chloro-5-nitro-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758810
N-(2-chloro-5-nitrophenyl)-5-methylthiolan-3-amine
CID 79942364

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline?
The IUPAC name of 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline (CID 43718933) is 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline.
What is the SMILES notation for 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline?
The canonical SMILES for 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline is O=[N+]([O-])c1ccc(Cl)c(NC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline?
The InChIKey is SQLODKSXNDGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-6-5-10(16(17)18)7-12(11)15-13(8-1-2-8)9-3-4-9/h5-9,13,15H,1-4H2.
What are the key properties of 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline?
2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline has a molecular weight of 266.73 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline is sourced from PubChem (CID 43718933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).