N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline

C14H20N2O3 — CID 79034338

IUPACN-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(NCCC2CCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-7-14(16(17)18)13(10-12)15-9-8-11-4-2-3-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyYIRGNLIZNWTJLF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.60
Rot. Bonds6

About N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline

N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline (PubChem CID 79034338) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
PubChem CID79034338
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(NCCC2CCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-7-14(16(17)18)13(10-12)15-9-8-11-4-2-3-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyYIRGNLIZNWTJLF-UHFFFAOYSA-N
XLogP3.60
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

3-(2-cyclopentylethylamino)-4-nitrobenzoic acid
CID 82784160
5-methoxy-2-nitro-N-(oxolan-3-ylmethyl)aniline
CID 79033445
3-(2-cyclohexylethylamino)-4-nitrobenzoic acid
CID 82770375
5-methoxy-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 79040625
5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
CID 106012727
5-methoxy-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 79035630
5-(5-methoxy-2-nitroanilino)pentan-1-ol
CID 107302413
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
5-methoxy-N-(5-methylhexyl)-2-nitroaniline
CID 115326188
N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide
CID 79769955
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
5-methoxy-N-(5-methylsulfanylpentyl)-2-nitroaniline
CID 104925560

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline?
The IUPAC name of N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline (CID 79034338) is N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline?
The canonical SMILES for N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline is COc1ccc([N+](=O)[O-])c(NCCC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline?
The InChIKey is YIRGNLIZNWTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-6-7-14(16(17)18)13(10-12)15-9-8-11-4-2-3-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline?
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline has a molecular weight of 264.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline is sourced from PubChem (CID 79034338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).