2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine

C17H19Cl2NO3 — CID 22685432

IUPAC2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO3/c1-21-17-10-12(6-7-20)2-4-16(17)23-9-8-22-15-5-3-13(18)11-14(15)19/h2-5,10-11H,6-9,20H2,1H3
InChIKeyVCAVLPIGQJWSIN-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.96
Rot. Bonds8

About 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine

2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine (PubChem CID 22685432) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
PubChem CID22685432
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO3/c1-21-17-10-12(6-7-20)2-4-16(17)23-9-8-22-15-5-3-13(18)11-14(15)19/h2-5,10-11H,6-9,20H2,1H3
InChIKeyVCAVLPIGQJWSIN-UHFFFAOYSA-N
XLogP3.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.96
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-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoxy]-3-methoxyphenyl]ethanamine
CID 18620192
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine (CID 22685432) is 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is VCAVLPIGQJWSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-21-17-10-12(6-7-20)2-4-16(17)23-9-8-22-15-5-3-13(18)11-14(15)19/h2-5,10-11H,6-9,20H2,1H3.
What are the key properties of 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 356.25 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 22685432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).