2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine

C20H26ClNO3 — CID 22687055

IUPAC2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCCc1ccc(OCCOc2c(Cl)cc(CCN)cc2OC)cc1
InChIInChI=1S/C20H26ClNO3/c1-3-4-15-5-7-17(8-6-15)24-11-12-25-20-18(21)13-16(9-10-22)14-19(20)23-2/h5-8,13-14H,3-4,9-12,22H2,1-2H3
InChIKeyZHPRWIUNPQKCKW-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.26
Rot. Bonds10

About 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine

2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22687055) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22687055
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCCc1ccc(OCCOc2c(Cl)cc(CCN)cc2OC)cc1
InChIInChI=1S/C20H26ClNO3/c1-3-4-15-5-7-17(8-6-15)24-11-12-25-20-18(21)13-16(9-10-22)14-19(20)23-2/h5-8,13-14H,3-4,9-12,22H2,1-2H3
InChIKeyZHPRWIUNPQKCKW-UHFFFAOYSA-N
XLogP4.26
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.26
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-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62071864
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine (CID 22687055) is 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine is CCCc1ccc(OCCOc2c(Cl)cc(CCN)cc2OC)cc1.
What is the InChIKey of 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is ZHPRWIUNPQKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-3-4-15-5-7-17(8-6-15)24-11-12-25-20-18(21)13-16(9-10-22)14-19(20)23-2/h5-8,13-14H,3-4,9-12,22H2,1-2H3.
What are the key properties of 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 363.89 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22687055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).