2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol

C17H27NO3 — CID 82965841

IUPAC2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
SMILESCC(C)OCCN(C)C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H27NO3/c1-12(2)20-9-8-18(5)15-11-17(3,4)21-16-10-13(19)6-7-14(15)16/h6-7,10,12,15,19H,8-9,11H2,1-5H3
InChIKeyUHPZHKSMBAIXFO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.35
Rot. Bonds5

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

2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol (PubChem CID 82965841) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
PubChem CID82965841
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
SMILESCC(C)OCCN(C)C1CC(C)(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H27NO3/c1-12(2)20-9-8-18(5)15-11-17(3,4)21-16-10-13(19)6-7-14(15)16/h6-7,10,12,15,19H,8-9,11H2,1-5H3
InChIKeyUHPZHKSMBAIXFO-UHFFFAOYSA-N
XLogP3.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
CID 82957858
3-[methyl(3-methylbutyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82986050
5-[methyl(2-propan-2-yloxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982832
4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 82958421
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 81063269
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82982217
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
CID 82959521
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977660

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol?
The IUPAC name of 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol (CID 82965841) is 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol?
The canonical SMILES for 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol is CC(C)OCCN(C)C1CC(C)(C)Oc2cc(O)ccc21.
What is the InChIKey of 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol?
The InChIKey is UHPZHKSMBAIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)20-9-8-18(5)15-11-17(3,4)21-16-10-13(19)6-7-14(15)16/h6-7,10,12,15,19H,8-9,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol?
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol has a molecular weight of 293.41 g/mol, XLogP of 3.35, 5 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(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 82965841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).