5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline

C12H18ClNO3 — CID 43387887

IUPAC5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
SMILESCCOCCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-4-17-6-5-14-10-7-9(13)11(15-2)8-12(10)16-3/h7-8,14H,4-6H2,1-3H3
InChIKeyRXOUYBDJFZLBQW-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.81
Rot. Bonds7

About 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline

5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline (PubChem CID 43387887) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
PubChem CID43387887
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
SMILESCCOCCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-4-17-6-5-14-10-7-9(13)11(15-2)8-12(10)16-3/h7-8,14H,4-6H2,1-3H3
InChIKeyRXOUYBDJFZLBQW-UHFFFAOYSA-N
XLogP2.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
3-(5-chloro-2,4-dimethoxyanilino)-N'-hydroxypropanimidamide
CID 77025331
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline (CID 43387887) is 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline is CCOCCNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline?
The InChIKey is RXOUYBDJFZLBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-4-17-6-5-14-10-7-9(13)11(15-2)8-12(10)16-3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline?
5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline has a molecular weight of 259.73 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline is sourced from PubChem (CID 43387887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).