3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine

C17H26N2O2 — CID 63691204

IUPAC3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine
SMILESCCOCCN(CC)Cc1ccc(OC)c(C#CCN)c1
InChIInChI=1S/C17H26N2O2/c1-4-19(11-12-21-5-2)14-15-8-9-17(20-3)16(13-15)7-6-10-18/h8-9,13H,4-5,10-12,14,18H2,1-3H3
InChIKeyCGCAOOTWQJVVEN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds8

About 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine

3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine (PubChem CID 63691204) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine
PubChem CID63691204
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine
SMILESCCOCCN(CC)Cc1ccc(OC)c(C#CCN)c1
InChIInChI=1S/C17H26N2O2/c1-4-19(11-12-21-5-2)14-15-8-9-17(20-3)16(13-15)7-6-10-18/h8-9,13H,4-5,10-12,14,18H2,1-3H3
InChIKeyCGCAOOTWQJVVEN-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65343894
[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]boronic acid
CID 63692817
N-[[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009502
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
CID 63697878
3-[5-(butan-2-yloxymethyl)-2-methoxyphenyl]prop-2-yn-1-amine
CID 54970361
3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
CID 63690863
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
3-[4-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969418
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine (CID 63691204) is 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine is CCOCCN(CC)Cc1ccc(OC)c(C#CCN)c1.
What is the InChIKey of 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine?
The InChIKey is CGCAOOTWQJVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(11-12-21-5-2)14-15-8-9-17(20-3)16(13-15)7-6-10-18/h8-9,13H,4-5,10-12,14,18H2,1-3H3.
What are the key properties of 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine?
3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine has a molecular weight of 290.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63691204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).