7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine

C18H22N2O2 — CID 82461942

IUPAC7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-18(2)10-16(20-12-13-5-4-8-19-11-13)15-7-6-14(21-3)9-17(15)22-18/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyJSRRFGBWSYFZAL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds4

About 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine

7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine (PubChem CID 82461942) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
PubChem CID82461942
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-18(2)10-16(20-12-13-5-4-8-19-11-13)15-7-6-14(21-3)9-17(15)22-18/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyJSRRFGBWSYFZAL-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 125159047
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 57258878
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine
CID 74238449
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 54401835
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118788171
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine (CID 82461942) is 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine is COc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1.
What is the InChIKey of 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is JSRRFGBWSYFZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)10-16(20-12-13-5-4-8-19-11-13)15-7-6-14(21-3)9-17(15)22-18/h4-9,11,16,20H,10,12H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine?
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).