4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C14H22ClNO3 — CID 104567187

IUPAC4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1ccc(CCl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-4-2-13(12-15)3-5-14/h2-5,16H,6-12H2,1H3
InChIKeyOIPAIADYTJIMLU-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.52
Rot. Bonds11

About 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104567187) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104567187
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1ccc(CCl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-4-2-13(12-15)3-5-14/h2-5,16H,6-12H2,1H3
InChIKeyOIPAIADYTJIMLU-UHFFFAOYSA-N
XLogP2.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-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

4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65025631
3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
CID 65024049
4-(chloromethyl)-N-(3,3-dimethylbutyl)aniline
CID 65025573
4-[2-(2-methoxyethoxy)ethylamino]benzene-1,2-dicarbonitrile
CID 107789333
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104567187) is 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is COCCOCCOCCNc1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is OIPAIADYTJIMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-17-8-9-19-11-10-18-7-6-16-14-4-2-13(12-15)3-5-14/h2-5,16H,6-12H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 287.79 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104567187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).