1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine

C15H23NO2 — CID 105165027

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-16-14(11-17-4-2)15-13-8-6-5-7-12(13)9-10-18-15/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeySZGBXZKXMNGILE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.32
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 105165027) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
PubChem CID105165027
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-16-14(11-17-4-2)15-13-8-6-5-7-12(13)9-10-18-15/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeySZGBXZKXMNGILE-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
CID 105321323
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylbut-3-yn-1-amine
CID 105077265
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171449
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105008227
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine (CID 105165027) is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is SZGBXZKXMNGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-14(11-17-4-2)15-13-8-6-5-7-12(13)9-10-18-15/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105165027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).