4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol

C12H17NO2 — CID 105460510

IUPAC4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol
SMILESCCNCC1CCOc2c(O)cccc21
InChIInChI=1S/C12H17NO2/c1-2-13-8-9-6-7-15-12-10(9)4-3-5-11(12)14/h3-5,9,13-14H,2,6-8H2,1H3
InChIKeyYXSBOGREIZUIJK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

About 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol

4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol (PubChem CID 105460510) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol
PubChem CID105460510
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol
SMILESCCNCC1CCOc2c(O)cccc21
InChIInChI=1S/C12H17NO2/c1-2-13-8-9-6-7-15-12-10(9)4-3-5-11(12)14/h3-5,9,13-14H,2,6-8H2,1H3
InChIKeyYXSBOGREIZUIJK-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91828033
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1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
4-isocyanato-3,4-dihydro-2H-chromen-8-ol
CID 112709579
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
CID 115757110
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
4-[(4R)-4-(methylaminomethyl)-3,4-dihydro-2H-chromen-8-yl]benzonitrile
CID 171496483
(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
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2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
CID 19840598

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol (CID 105460510) is 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol is CCNCC1CCOc2c(O)cccc21.
What is the InChIKey of 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is YXSBOGREIZUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13-8-9-6-7-15-12-10(9)4-3-5-11(12)14/h3-5,9,13-14H,2,6-8H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol?
4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 207.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 105460510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).