3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol

C14H21NO2 — CID 105496645

IUPAC3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCCN(CC)CC1COc2ccc(O)cc2C1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)9-11-7-12-8-13(16)5-6-14(12)17-10-11/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3
InChIKeyBMGPKOJVFJNJOD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds4

About 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol

3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol (PubChem CID 105496645) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
PubChem CID105496645
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCCN(CC)CC1COc2ccc(O)cc2C1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)9-11-7-12-8-13(16)5-6-14(12)17-10-11/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3
InChIKeyBMGPKOJVFJNJOD-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)acetate
CID 54031380
3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105474259
2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
CID 105478918
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 11708657
4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 139020937
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
methyl 2-(6-chloro-3,4-dihydro-2H-chromen-3-yl)acetate
CID 102198272
2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
CID 67895461
3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
CID 130032866
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol (CID 105496645) is 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol is CCN(CC)CC1COc2ccc(O)cc2C1.
What is the InChIKey of 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is BMGPKOJVFJNJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15(4-2)9-11-7-12-8-13(16)5-6-14(12)17-10-11/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol?
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 235.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 105496645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).