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

C13H19NO — CID 12536020

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
SMILESCCNC(C)C1OCCc2ccccc21
InChIInChI=1S/C13H19NO/c1-3-14-10(2)13-12-7-5-4-6-11(12)8-9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyBTKAELDQZAIBJE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

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

1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine (PubChem CID 12536020) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
PubChem CID12536020
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
SMILESCCNC(C)C1OCCc2ccccc21
InChIInChI=1S/C13H19NO/c1-3-14-10(2)13-12-7-5-4-6-11(12)8-9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyBTKAELDQZAIBJE-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylbut-3-yn-1-amine
CID 105077265
1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105165027
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
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171449
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
(E)-N-[(1R)-1-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]-3-phenylprop-2-enamide
CID 5420874
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine (CID 12536020) is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine is CCNC(C)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine?
The InChIKey is BTKAELDQZAIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-10(2)13-12-7-5-4-6-11(12)8-9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine is sourced from PubChem (CID 12536020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).