N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine

C26H31NO5 — CID 11633517

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3
InChIKeyOYHGPJOLAUFAHT-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.64
Rot. Bonds13

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine (PubChem CID 11633517) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine
PubChem CID11633517
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3
InChIKeyOYHGPJOLAUFAHT-UHFFFAOYSA-N
XLogP4.64
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

WB 4101
CID 5685
1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)
CID 11957505
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 10363912
(2-(2-(4-Chlorobenzyloxy)phenoxy)ethyl)-(2-(2,6-dimethoxyphenoxy)ethyl)amine
CID 11583392
2-(2,6-dimethoxyphenoxy)-N-[[(2R)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
CID 9931962
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
CID 10364994
[2-(2,6-Dimethoxy-phenoxy)-ethyl]-((2S,3S)-3-p-tolyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CID 10599007
2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine
CID 11133288
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 11532563
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(2-methylphenyl)methoxy]phenoxy]ethanamine
CID 11539392
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine
CID 11604548
2-[2-[(3-chlorophenyl)methoxy]phenoxy]-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine
CID 11626704

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine (CID 11633517) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine is COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine?
The InChIKey is OYHGPJOLAUFAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine has a molecular weight of 437.54 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine is sourced from PubChem (CID 11633517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).