4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline

C12H18ClNO2 — CID 43387882

IUPAC4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
SMILESCCOCCNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-4-16-6-5-14-11-7-9(2)10(13)8-12(11)15-3/h7-8,14H,4-6H2,1-3H3
InChIKeyAFQIAVZGXBKNNS-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.11
Rot. Bonds6

About 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline

4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline (PubChem CID 43387882) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
PubChem CID43387882
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
SMILESCCOCCNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-4-16-6-5-14-11-7-9(2)10(13)8-12(11)15-3/h7-8,14H,4-6H2,1-3H3
InChIKeyAFQIAVZGXBKNNS-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
4-chloro-2-methoxy-5-methyl-N-(3-methylbut-3-enyl)aniline
CID 114471885
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
CID 66044486
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline (CID 43387882) is 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline is CCOCCNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline?
The InChIKey is AFQIAVZGXBKNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-4-16-6-5-14-11-7-9(2)10(13)8-12(11)15-3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline?
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline has a molecular weight of 243.73 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 43387882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).