2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine

C19H24ClNO3 — CID 22684363

IUPAC2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCOc1cccc(C)c1C
InChIInChI=1S/C19H24ClNO3/c1-13-5-4-6-17(14(13)2)23-9-10-24-19-16(20)11-15(7-8-21)12-18(19)22-3/h4-6,11-12H,7-10,21H2,1-3H3
InChIKeyCJXRDEOUXIOYGN-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.92
Rot. Bonds8

About 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine

2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine (PubChem CID 22684363) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
PubChem CID22684363
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCOc1cccc(C)c1C
InChIInChI=1S/C19H24ClNO3/c1-13-5-4-6-17(14(13)2)23-9-10-24-19-16(20)11-15(7-8-21)12-18(19)22-3/h4-6,11-12H,7-10,21H2,1-3H3
InChIKeyCJXRDEOUXIOYGN-UHFFFAOYSA-N
XLogP3.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.92
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-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62071864
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 81166256
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine
CID 82353285
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine (CID 22684363) is 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine is COc1cc(CCN)cc(Cl)c1OCCOc1cccc(C)c1C.
What is the InChIKey of 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine?
The InChIKey is CJXRDEOUXIOYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-13-5-4-6-17(14(13)2)23-9-10-24-19-16(20)11-15(7-8-21)12-18(19)22-3/h4-6,11-12H,7-10,21H2,1-3H3.
What are the key properties of 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine?
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine has a molecular weight of 349.86 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine is sourced from PubChem (CID 22684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).