4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol

C12H17NO2 — CID 105460519

IUPAC4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCN(C)CC1CCOc2ccc(O)cc21
InChIInChI=1S/C12H17NO2/c1-13(2)8-9-5-6-15-12-4-3-10(14)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyCVHZYLXXQWGQRQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds2

About 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol

4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 105460519) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
PubChem CID105460519
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCN(C)CC1CCOc2ccc(O)cc21
InChIInChI=1S/C12H17NO2/c1-13(2)8-9-5-6-15-12-4-3-10(14)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyCVHZYLXXQWGQRQ-UHFFFAOYSA-N
XLogP1.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol
CID 105438603
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
7,8-dichloro-4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250203
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
CID 104771323

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol (CID 105460519) is 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol is CN(C)CC1CCOc2ccc(O)cc21.
What is the InChIKey of 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is CVHZYLXXQWGQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)8-9-5-6-15-12-4-3-10(14)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 207.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 105460519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).