3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline

C14H22ClNO4 — CID 104560092

IUPAC3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
SMILESCOCCOCCOCCOCc1c(N)cccc1Cl
InChIInChI=1S/C14H22ClNO4/c1-17-5-6-18-7-8-19-9-10-20-11-12-13(15)3-2-4-14(12)16/h2-4H,5-11,16H2,1H3
InChIKeyXEHHCTQQIOBQQI-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.12
Rot. Bonds11

About 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline

3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline (PubChem CID 104560092) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
PubChem CID104560092
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
SMILESCOCCOCCOCCOCc1c(N)cccc1Cl
InChIInChI=1S/C14H22ClNO4/c1-17-5-6-18-7-8-19-9-10-20-11-12-13(15)3-2-4-14(12)16/h2-4H,5-11,16H2,1H3
InChIKeyXEHHCTQQIOBQQI-UHFFFAOYSA-N
XLogP2.12
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]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

2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
CID 170043449
3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
CID 63745442
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1,3-dichloro-2-(2-heptoxyethoxymethyl)benzene
CID 118329197
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
3-chloro-2-(2-ethylhexoxymethyl)aniline
CID 63747486
(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061
3-chloro-2-(fluoromethyl)aniline
CID 70612781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline?
The IUPAC name of 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline (CID 104560092) is 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline.
What is the SMILES notation for 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline?
The canonical SMILES for 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline is COCCOCCOCCOCc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline?
The InChIKey is XEHHCTQQIOBQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-17-5-6-18-7-8-19-9-10-20-11-12-13(15)3-2-4-14(12)16/h2-4H,5-11,16H2,1H3.
What are the key properties of 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline?
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline has a molecular weight of 303.79 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline is sourced from PubChem (CID 104560092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).