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

C22H30N2O2 — CID 10450810

IUPAC2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)CCc1ccccn1)O2
InChIInChI=1S/C22H30N2O2/c1-15-16(2)21-19(17(3)20(15)25)9-11-22(4,26-21)14-24(5)13-10-18-8-6-7-12-23-18/h6-8,12,25H,9-11,13-14H2,1-5H3
InChIKeyHFFHVLHCRKCOOJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.97
Rot. Bonds5

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

2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol (PubChem CID 10450810) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol
PubChem CID10450810
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)CCc1ccccn1)O2
InChIInChI=1S/C22H30N2O2/c1-15-16(2)21-19(17(3)20(15)25)9-11-22(4,26-21)14-24(5)13-10-18-8-6-7-12-23-18/h6-8,12,25H,9-11,13-14H2,1-5H3
InChIKeyHFFHVLHCRKCOOJ-UHFFFAOYSA-N
XLogP3.97
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol (CID 10450810) is 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)CCc1ccccn1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol?
The InChIKey is HFFHVLHCRKCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-16(2)21-19(17(3)20(15)25)9-11-22(4,26-21)14-24(5)13-10-18-8-6-7-12-23-18/h6-8,12,25H,9-11,13-14H2,1-5H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol has a molecular weight of 354.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10450810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).