2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol

C17H25NO3 — CID 82957858

IUPAC2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
SMILESCN(C1CCOCC1)C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H25NO3/c1-17(2)11-15(18(3)12-6-8-20-9-7-12)14-5-4-13(19)10-16(14)21-17/h4-5,10,12,15,19H,6-9,11H2,1-3H3
InChIKeyHVEJBCZWQALLRH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.11
Rot. Bonds2

About 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol

2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol (PubChem CID 82957858) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
PubChem CID82957858
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
SMILESCN(C1CCOCC1)C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H25NO3/c1-17(2)11-15(18(3)12-6-8-20-9-7-12)14-5-4-13(19)10-16(14)21-17/h4-5,10,12,15,19H,6-9,11H2,1-3H3
InChIKeyHVEJBCZWQALLRH-UHFFFAOYSA-N
XLogP3.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]-3,4-dihydrochromen-7-ol
CID 82958270
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
CID 82965841
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 104969291
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
CID 63936445
4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 82958421
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
CID 82959521
2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol
CID 62385148
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol?
The IUPAC name of 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol (CID 82957858) is 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol?
The canonical SMILES for 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol is CN(C1CCOCC1)C1CC(C)(C)Oc2cc(O)ccc21.
What is the InChIKey of 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol?
The InChIKey is HVEJBCZWQALLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2)11-15(18(3)12-6-8-20-9-7-12)14-5-4-13(19)10-16(14)21-17/h4-5,10,12,15,19H,6-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol?
2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol has a molecular weight of 291.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 82957858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).