3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine

C17H26N2O2 — CID 63690863

IUPAC3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
SMILESCCOCCN(CC)CCOc1cccc(C#CCN)c1
InChIInChI=1S/C17H26N2O2/c1-3-19(11-13-20-4-2)12-14-21-17-9-5-7-16(15-17)8-6-10-18/h5,7,9,15H,3-4,10-14,18H2,1-2H3
InChIKeyYCRHDCDOUMJCMU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds9

About 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine

3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 63690863) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID63690863
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
SMILESCCOCCN(CC)CCOc1cccc(C#CCN)c1
InChIInChI=1S/C17H26N2O2/c1-3-19(11-13-20-4-2)12-14-21-17-9-5-7-16(15-17)8-6-10-18/h5,7,9,15H,3-4,10-14,18H2,1-2H3
InChIKeyYCRHDCDOUMJCMU-UHFFFAOYSA-N
XLogP1.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.73
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

N-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-N-ethyl-2-methylbutan-1-amine
CID 79481759
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]prop-2-yn-1-amine
CID 104564421
3-[3-(2-propylsulfonylethoxy)phenyl]prop-2-yn-1-amine
CID 106728270
3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062012
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[3-(2-pentylsulfanylethoxy)phenyl]prop-2-yn-1-amine
CID 107754426
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
3-[3-(3,3,3-trifluoropropoxy)phenyl]prop-2-yn-1-amine
CID 64566759
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
3-[3-(3-methylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 63192000

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine (CID 63690863) is 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine is CCOCCN(CC)CCOc1cccc(C#CCN)c1.
What is the InChIKey of 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is YCRHDCDOUMJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(11-13-20-4-2)12-14-21-17-9-5-7-16(15-17)8-6-10-18/h5,7,9,15H,3-4,10-14,18H2,1-2H3.
What are the key properties of 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine?
3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 290.41 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63690863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).