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

C15H23NO3 — CID 82187052

IUPAC3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCN(C)C1COc2c(OC)cccc2C1O
InChIInChI=1S/C15H23NO3/c1-4-5-9-16(2)12-10-19-15-11(14(12)17)7-6-8-13(15)18-3/h6-8,12,14,17H,4-5,9-10H2,1-3H3
InChIKeyGLSKFDFAIQYWEB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds5

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

3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82187052) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID82187052
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCN(C)C1COc2c(OC)cccc2C1O
InChIInChI=1S/C15H23NO3/c1-4-5-9-16(2)12-10-19-15-11(14(12)17)7-6-8-13(15)18-3/h6-8,12,14,17H,4-5,9-10H2,1-3H3
InChIKeyGLSKFDFAIQYWEB-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
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
8-chloro-3-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186909
(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82187050
3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187420
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
4-[butyl(methyl)amino]oxolan-3-ol
CID 139506910
2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 82187052) is 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol is CCCCN(C)C1COc2c(OC)cccc2C1O.
What is the InChIKey of 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GLSKFDFAIQYWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-9-16(2)12-10-19-15-11(14(12)17)7-6-8-13(15)18-3/h6-8,12,14,17H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol?
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 265.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82187052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).