2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline

C13H16Cl2N2O2 — CID 106891570

IUPAC2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
SMILESCC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CCCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(9-4-2-3-5-9)16-13-11(14)6-10(17(18)19)7-12(13)15/h6-9,16H,2-5H2,1H3
InChIKeyPSMGFWMMDRWVTG-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.89
Rot. Bonds4

About 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline

2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline (PubChem CID 106891570) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
PubChem CID106891570
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
SMILESCC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CCCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(9-4-2-3-5-9)16-13-11(14)6-10(17(18)19)7-12(13)15/h6-9,16H,2-5H2,1H3
InChIKeyPSMGFWMMDRWVTG-UHFFFAOYSA-N
XLogP4.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.89
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

2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
3-N-(1-cyclohexylethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80801597
N-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991
2-bromo-6-chloro-N-cyclohexyl-4-nitroaniline
CID 50879522
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
2-(2,6-dichloro-4-nitroanilino)cycloheptan-1-ol
CID 106891661
N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
CID 103145121
N-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
3-(2,6-dichloro-4-nitroanilino)butanamide
CID 104917716

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline?
The IUPAC name of 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline (CID 106891570) is 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline is CC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CCCC1.
What is the InChIKey of 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline?
The InChIKey is PSMGFWMMDRWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(9-4-2-3-5-9)16-13-11(14)6-10(17(18)19)7-12(13)15/h6-9,16H,2-5H2,1H3.
What are the key properties of 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline?
2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline has a molecular weight of 303.19 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline is sourced from PubChem (CID 106891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).