[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine

C18H22ClNO4 — CID 20986388

IUPAC[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1OC
InChIInChI=1S/C18H22ClNO4/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3
InChIKeyCTDCHOVKNATSIX-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.66
Rot. Bonds9

About [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine

[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20986388) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
PubChem CID20986388
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1OC
InChIInChI=1S/C18H22ClNO4/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3
InChIKeyCTDCHOVKNATSIX-UHFFFAOYSA-N
XLogP3.66
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.66
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

[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[3-chloro-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22684216
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
[3-chloro-4-[2-(2,5-dichlorophenoxy)ethoxy]-5-ethoxyphenyl]methanamine
CID 22679990
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251
3-[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxyphenyl]propanoic acid
CID 20990343
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine (CID 20986388) is [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine is CCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1OC.
What is the InChIKey of [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is CTDCHOVKNATSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3.
What are the key properties of [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine?
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 351.83 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20986388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).