2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine

C15H24ClNO4 — CID 103181909

IUPAC2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCOCCCOCCOc1c(CCN)cc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO4/c1-18-6-3-7-20-8-9-21-15-12(4-5-17)10-13(16)11-14(15)19-2/h10-11H,3-9,17H2,1-2H3
InChIKeyOBRIANFGQNPZQK-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.28
Rot. Bonds11

About 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine

2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (PubChem CID 103181909) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
PubChem CID103181909
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCOCCCOCCOc1c(CCN)cc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO4/c1-18-6-3-7-20-8-9-21-15-12(4-5-17)10-13(16)11-14(15)19-2/h10-11H,3-9,17H2,1-2H3
InChIKeyOBRIANFGQNPZQK-UHFFFAOYSA-N
XLogP2.28
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-methoxyphenyl]ethanamine
CID 104666878
2-[5-chloro-3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 104666826
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
2-(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)ethanamine
CID 113438911
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
2-[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 104666763
5-chloro-1-(chloromethyl)-3-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 104666332
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
butyl 2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]acetate
CID 104666722
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (CID 103181909) is 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is COCCCOCCOc1c(CCN)cc(Cl)cc1OC.
What is the InChIKey of 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The InChIKey is OBRIANFGQNPZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-18-6-3-7-20-8-9-21-15-12(4-5-17)10-13(16)11-14(15)19-2/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine has a molecular weight of 317.81 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103181909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).