2-chloro-N-ethyl-5-nitroaniline

C8H9ClN2O2 — CID 43718971

IUPAC2-chloro-N-ethyl-5-nitroaniline
SMILESCCNc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-2-10-8-5-6(11(12)13)3-4-7(8)9/h3-5,10H,2H2,1H3
InChIKeyWNAIKWVGBCFAFD-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-N-ethyl-5-nitroaniline

2-chloro-N-ethyl-5-nitroaniline (PubChem CID 43718971) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-nitroaniline
PubChem CID43718971
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N-ethyl-5-nitroaniline
SMILESCCNc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-2-10-8-5-6(11(12)13)3-4-7(8)9/h3-5,10H,2H2,1H3
InChIKeyWNAIKWVGBCFAFD-UHFFFAOYSA-N
XLogP2.68
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.68
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-chloro-N-[(4-ethylphenyl)methyl]-5-nitroaniline
CID 43718825
2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline
CID 63444733
2-chloro-5-nitro-N-(2,3,3-trimethylbutyl)aniline
CID 114270475
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitroaniline
CID 43718811
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-nitroaniline
CID 43785643
2-chloro-N-(4-methylsulfanylbutyl)-5-nitroaniline
CID 103087579
2-(ethylamino)-4-nitrobenzenesulfonic acid
CID 14833051
N-[(4-bromophenyl)methyl]-2-chloro-5-nitroaniline
CID 43718810
2-chloro-5-nitro-N-(2-phenylpropyl)aniline
CID 43718780
1-[2-(ethylamino)-4-nitrophenyl]propan-1-one
CID 174545014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-nitroaniline?
The IUPAC name of 2-chloro-N-ethyl-5-nitroaniline (CID 43718971) is 2-chloro-N-ethyl-5-nitroaniline.
What is the SMILES notation for 2-chloro-N-ethyl-5-nitroaniline?
The canonical SMILES for 2-chloro-N-ethyl-5-nitroaniline is CCNc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-nitroaniline?
The InChIKey is WNAIKWVGBCFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-10-8-5-6(11(12)13)3-4-7(8)9/h3-5,10H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-5-nitroaniline?
2-chloro-N-ethyl-5-nitroaniline has a molecular weight of 200.63 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-nitroaniline is sourced from PubChem (CID 43718971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).