2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine

C13H20ClNO3 — CID 104666878

IUPAC2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
SMILESCCOCCOc1c(CCN)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-3-17-6-7-18-13-10(4-5-15)8-11(14)9-12(13)16-2/h8-9H,3-7,15H2,1-2H3
InChIKeyFLHOBTGLCIUVPO-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.27
Rot. Bonds8

About 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine

2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine (PubChem CID 104666878) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
PubChem CID104666878
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
SMILESCCOCCOc1c(CCN)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-3-17-6-7-18-13-10(4-5-15)8-11(14)9-12(13)16-2/h8-9H,3-7,15H2,1-2H3
InChIKeyFLHOBTGLCIUVPO-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
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-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103181909
2-[5-chloro-3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 104666826
N-[[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 104664891
2-[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 104666763
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
2-(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)ethanamine
CID 113438911
butyl 2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]acetate
CID 104666722
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 104666718
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
5-chloro-1-(chloromethyl)-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454056
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine (CID 104666878) is 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine is CCOCCOc1c(CCN)cc(Cl)cc1OC.
What is the InChIKey of 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is FLHOBTGLCIUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-3-17-6-7-18-13-10(4-5-15)8-11(14)9-12(13)16-2/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine?
2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine has a molecular weight of 273.76 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 104666878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).