3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

C21H24F3N3O2 — CID 167482872

IUPAC3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCC(C)COC1COc2ccccc2C1.Nc1nccc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C13H18O2.C8H6F3N3/c1-10(2)8-14-12-7-11-5-3-4-6-13(11)15-9-12;9-8(10,11)6-3-4-5(14-6)1-2-13-7(4)12/h3-6,10,12H,7-9H2,1-2H3;1-3,14H,(H2,12,13)
InChIKeyHISHTYHOWDQBIR-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.83
Rot. Bonds3

About 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 167482872) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID167482872
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCC(C)COC1COc2ccccc2C1.Nc1nccc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C13H18O2.C8H6F3N3/c1-10(2)8-14-12-7-11-5-3-4-6-13(11)15-9-12;9-8(10,11)6-3-4-5(14-6)1-2-13-7(4)12/h3-6,10,12H,7-9H2,1-2H3;1-3,14H,(H2,12,13)
InChIKeyHISHTYHOWDQBIR-UHFFFAOYSA-N
XLogP4.83
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromen-3-yloxy)-2,2-dimethylpropanenitrile;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482877
1-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)oxy]-2-methylpropan-2-ol;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482896
4-(3,4-dihydro-2H-chromen-3-yl)morpholine;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837890
N-[3-(oxetan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 172508654
3-(2-fluoro-2-methylpropoxy)-3,4,7,8-tetrahydro-2H-chromene;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482912
N-[(4S)-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 167482522
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
2-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 20680867
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 167482434
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 65410962
3-(2,2-difluoro-2-methoxyethoxy)-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-chromene-4-carbonitrilium
CID 167482854
4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-ol
CID 167482548

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 167482872) is 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is CC(C)COC1COc2ccccc2C1.Nc1nccc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is HISHTYHOWDQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C8H6F3N3/c1-10(2)8-14-12-7-11-5-3-4-6-13(11)15-9-12;9-8(10,11)6-3-4-5(14-6)1-2-13-7(4)12/h3-6,10,12H,7-9H2,1-2H3;1-3,14H,(H2,12,13).
What are the key properties of 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 407.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-3,4-dihydro-2H-chromene;2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 167482872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).