3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C13H20ClNO3 — CID 104561477

IUPAC3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO3/c1-16-7-8-18-10-9-17-6-5-15-13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3
InChIKeyDFDYUKGXPAVPMN-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.43
Rot. Bonds10

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

3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104561477) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104561477
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO3/c1-16-7-8-18-10-9-17-6-5-15-13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3
InChIKeyDFDYUKGXPAVPMN-UHFFFAOYSA-N
XLogP2.43
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]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

3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-chloro-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
CID 62598479
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
CID 156823958
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104561477) is 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is COCCOCCOCCNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is DFDYUKGXPAVPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-16-7-8-18-10-9-17-6-5-15-13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3.
What are the key properties of 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 273.76 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104561477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).