2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol

C20H26N2O2 — CID 54470679

IUPAC2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CNCc1ccccn1)O2
InChIInChI=1S/C20H26N2O2/c1-13-14(2)19-17(15(3)18(13)23)8-9-20(4,24-19)12-21-11-16-7-5-6-10-22-16/h5-7,10,21,23H,8-9,11-12H2,1-4H3
InChIKeyXICZOQUWYMJBRS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.59
Rot. Bonds4

About 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol (PubChem CID 54470679) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol
PubChem CID54470679
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CNCc1ccccn1)O2
InChIInChI=1S/C20H26N2O2/c1-13-14(2)19-17(15(3)18(13)23)8-9-20(4,24-19)12-21-11-16-7-5-6-10-22-16/h5-7,10,21,23H,8-9,11-12H2,1-4H3
InChIKeyXICZOQUWYMJBRS-UHFFFAOYSA-N
XLogP3.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 91777750
6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 67906530
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium
CID 132554822
10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium iodide
CID 172681428
2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol
CID 139676968
5-[[4-[2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54263268
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
CID 58280984
2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 139676959
(2R)-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromen-6-ol
CID 147729867
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol (CID 54470679) is 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCc1ccccn1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol?
The InChIKey is XICZOQUWYMJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-14(2)19-17(15(3)18(13)23)8-9-20(4,24-19)12-21-11-16-7-5-6-10-22-16/h5-7,10,21,23H,8-9,11-12H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol has a molecular weight of 326.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 54470679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).