2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine

C25H29NO4 — CID 11133288

IUPAC2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H29NO4/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-22-12-7-6-11-21(22)19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
InChIKeyONMIMCVGCGOVHM-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.34
Rot. Bonds12

About 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine

2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine (PubChem CID 11133288) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine
PubChem CID11133288
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H29NO4/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-22-12-7-6-11-21(22)19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
InChIKeyONMIMCVGCGOVHM-UHFFFAOYSA-N
XLogP4.34
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.34
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

WB 4101
CID 5685
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
8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chroman-6-ol
CID 10499477
[2-(2,6-Dimethoxy-phenoxy)-ethyl]-((2S,3S)-3-p-tolyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CID 10599007
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
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(3-methylphenyl)methoxy]phenoxy]ethanamine
CID 11633517

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine (CID 11133288) is 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine is COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine?
The InChIKey is ONMIMCVGCGOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-22-12-7-6-11-21(22)19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3.
What are the key properties of 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine?
2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine has a molecular weight of 407.51 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine is sourced from PubChem (CID 11133288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).