4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol

C19H23NO2 — CID 82188507

IUPAC4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(C)c2c(c1)C(N(C)Cc1ccccc1)C(O)CO2
InChIInChI=1S/C19H23NO2/c1-13-9-14(2)19-16(10-13)18(17(21)12-22-19)20(3)11-15-7-5-4-6-8-15/h4-10,17-18,21H,11-12H2,1-3H3
InChIKeyZMJWZANLTJJBOO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.23
Rot. Bonds3

About 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol

4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188507) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188507
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(C)c2c(c1)C(N(C)Cc1ccccc1)C(O)CO2
InChIInChI=1S/C19H23NO2/c1-13-9-14(2)19-16(10-13)18(17(21)12-22-19)20(3)11-15-7-5-4-6-8-15/h4-10,17-18,21H,11-12H2,1-3H3
InChIKeyZMJWZANLTJJBOO-UHFFFAOYSA-N
XLogP3.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol (CID 82188507) is 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol is Cc1cc(C)c2c(c1)C(N(C)Cc1ccccc1)C(O)CO2.
What is the InChIKey of 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is ZMJWZANLTJJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-9-14(2)19-16(10-13)18(17(21)12-22-19)20(3)11-15-7-5-4-6-8-15/h4-10,17-18,21H,11-12H2,1-3H3.
What are the key properties of 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol?
4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 297.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).