2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol

C16H25NO2 — CID 14800288

IUPAC2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc2c(c(C)c1O)CCC(C)(CCN(C)C)O2
InChIInChI=1S/C16H25NO2/c1-11-10-14-13(12(2)15(11)18)6-7-16(3,19-14)8-9-17(4)5/h10,18H,6-9H2,1-5H3
InChIKeyXWMXMPOPGYEXLH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol

2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol (PubChem CID 14800288) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol
PubChem CID14800288
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc2c(c(C)c1O)CCC(C)(CCN(C)C)O2
InChIInChI=1S/C16H25NO2/c1-11-10-14-13(12(2)15(11)18)6-7-16(3,19-14)8-9-17(4)5/h10,18H,6-9H2,1-5H3
InChIKeyXWMXMPOPGYEXLH-UHFFFAOYSA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Delta-Tocopherol
CID 92094
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Tramadol
CID 33741
Delta-Tocotrienol
CID 5282350
Gamma-Tocotrienol
CID 5282349
Alpha-Tocotrienol
CID 5282347
Beta-Tocopherol
CID 6857447
beta-Tocotrienol
CID 5282348
2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CID 5523
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
CID 86052
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
CID 586537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol (CID 14800288) is 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol is Cc1cc2c(c(C)c1O)CCC(C)(CCN(C)C)O2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is XWMXMPOPGYEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-10-14-13(12(2)15(11)18)6-7-16(3,19-14)8-9-17(4)5/h10,18H,6-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol?
2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 263.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-2,5,7-trimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 14800288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).