5-chloro-N-ethyl-4-methyl-2-nitroaniline

C9H11ClN2O2 — CID 174646786

IUPAC5-chloro-N-ethyl-4-methyl-2-nitroaniline
SMILESCCNc1cc(Cl)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O2/c1-3-11-8-5-7(10)6(2)4-9(8)12(13)14/h4-5,11H,3H2,1-2H3
InChIKeyXWPSSGBHUMRTEW-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-N-ethyl-4-methyl-2-nitroaniline

5-chloro-N-ethyl-4-methyl-2-nitroaniline (PubChem CID 174646786) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-methyl-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-methyl-2-nitroaniline
PubChem CID174646786
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-chloro-N-ethyl-4-methyl-2-nitroaniline
SMILESCCNc1cc(Cl)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O2/c1-3-11-8-5-7(10)6(2)4-9(8)12(13)14/h4-5,11H,3H2,1-2H3
InChIKeyXWPSSGBHUMRTEW-UHFFFAOYSA-N
XLogP2.99
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.99
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-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide
CID 125426684
N,N'-bis(4,5-dichloro-2-nitrophenyl)ethane-1,2-diamine
CID 91716539
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
sodium;2-(4-chloro-5-methyl-2-nitroanilino)acetic acid;hydride
CID 173276187
4-(ethylamino)-5-nitrophthalic acid
CID 4244645
2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
CID 15516080
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N-(5-chloro-4-methyl-2-nitrophenyl)piperidin-4-amine
CID 70315784

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-methyl-2-nitroaniline?
The IUPAC name of 5-chloro-N-ethyl-4-methyl-2-nitroaniline (CID 174646786) is 5-chloro-N-ethyl-4-methyl-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-ethyl-4-methyl-2-nitroaniline?
The canonical SMILES for 5-chloro-N-ethyl-4-methyl-2-nitroaniline is CCNc1cc(Cl)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-ethyl-4-methyl-2-nitroaniline?
The InChIKey is XWPSSGBHUMRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-11-8-5-7(10)6(2)4-9(8)12(13)14/h4-5,11H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-methyl-2-nitroaniline?
5-chloro-N-ethyl-4-methyl-2-nitroaniline has a molecular weight of 214.65 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-methyl-2-nitroaniline is sourced from PubChem (CID 174646786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).