4-chloro-2-(2-ethoxyethoxy)aniline

C10H14ClNO2 — CID 62306206

IUPAC4-chloro-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cc(Cl)ccc1N
InChIInChI=1S/C10H14ClNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyVSCMJVKZAYHVFB-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.34
Rot. Bonds5

About 4-chloro-2-(2-ethoxyethoxy)aniline

4-chloro-2-(2-ethoxyethoxy)aniline (PubChem CID 62306206) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyethoxy)aniline
PubChem CID62306206
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-chloro-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cc(Cl)ccc1N
InChIInChI=1S/C10H14ClNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyVSCMJVKZAYHVFB-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-ethoxyethoxy)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

4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
4,5-dichloro-2-(3-ethoxypropoxy)aniline
CID 107497934
2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
CID 66100153
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyethoxy)aniline?
The IUPAC name of 4-chloro-2-(2-ethoxyethoxy)aniline (CID 62306206) is 4-chloro-2-(2-ethoxyethoxy)aniline.
What is the SMILES notation for 4-chloro-2-(2-ethoxyethoxy)aniline?
The canonical SMILES for 4-chloro-2-(2-ethoxyethoxy)aniline is CCOCCOc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-ethoxyethoxy)aniline?
The InChIKey is VSCMJVKZAYHVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-2-13-5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 4-chloro-2-(2-ethoxyethoxy)aniline?
4-chloro-2-(2-ethoxyethoxy)aniline has a molecular weight of 215.68 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 62306206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).