2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

C14H22ClNO3 — CID 103411486

IUPAC2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C14H22ClNO3/c1-17-9-10-18-7-2-8-19-14-4-3-13(15)11-12(14)5-6-16/h3-4,11H,2,5-10,16H2,1H3
InChIKeyPTYLKYOGJOLVCU-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.27
Rot. Bonds10

About 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (PubChem CID 103411486) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
PubChem CID103411486
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C14H22ClNO3/c1-17-9-10-18-7-2-8-19-14-4-3-13(15)11-12(14)5-6-16/h3-4,11H,2,5-10,16H2,1H3
InChIKeyPTYLKYOGJOLVCU-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103181909
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369658
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177687

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (CID 103411486) is 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is COCCOCCCOc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The InChIKey is PTYLKYOGJOLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-17-9-10-18-7-2-8-19-14-4-3-13(15)11-12(14)5-6-16/h3-4,11H,2,5-10,16H2,1H3.
What are the key properties of 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine has a molecular weight of 287.79 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 103411486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).