4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline

C13H20ClNO3 — CID 106451234

IUPAC4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-6-18-7-5-15-11-9-12(16-2)10(14)8-13(11)17-3/h8-9,15H,4-7H2,1-3H3
InChIKeyHYIIDJZEHZJPTK-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.20
Rot. Bonds8

About 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline

4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline (PubChem CID 106451234) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
PubChem CID106451234
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-6-18-7-5-15-11-9-12(16-2)10(14)8-13(11)17-3/h8-9,15H,4-7H2,1-3H3
InChIKeyHYIIDJZEHZJPTK-UHFFFAOYSA-N
XLogP3.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propoxybutyl)thiourea
CID 71589910
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
2-methoxy-N-(2-propoxyethyl)aniline
CID 106451173
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline (CID 106451234) is 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline is CCCOCCNc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline?
The InChIKey is HYIIDJZEHZJPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-4-6-18-7-5-15-11-9-12(16-2)10(14)8-13(11)17-3/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline?
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline has a molecular weight of 273.76 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106451234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).