4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol

C18H21NO3 — CID 82188689

IUPAC4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N(C)Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(11-13-7-4-3-5-8-13)17-14-9-6-10-16(21-2)18(14)22-12-15(17)20/h3-10,15,17,20H,11-12H2,1-2H3
InChIKeyVFDAUTKLRVICSA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.62
Rot. Bonds4

About 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol

4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188689) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188689
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N(C)Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(11-13-7-4-3-5-8-13)17-14-9-6-10-16(21-2)18(14)22-12-15(17)20/h3-10,15,17,20H,11-12H2,1-2H3
InChIKeyVFDAUTKLRVICSA-UHFFFAOYSA-N
XLogP2.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188692
4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol
CID 82188507
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188579
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol (CID 82188689) is 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol is COc1cccc2c1OCC(O)C2N(C)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is VFDAUTKLRVICSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(11-13-7-4-3-5-8-13)17-14-9-6-10-16(21-2)18(14)22-12-15(17)20/h3-10,15,17,20H,11-12H2,1-2H3.
What are the key properties of 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 299.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).