4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline

C18H19NO — CID 106781460

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1cccc2c1OCCC2
InChIInChI=1S/C18H19NO/c1-2-8-15-14(5-1)11-19-12-17(15)16-9-3-6-13-7-4-10-20-18(13)16/h1-3,5-6,8-9,17,19H,4,7,10-12H2
InChIKeyDEPOZPDLOXTWHK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.25
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline

4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781460) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781460
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1cccc2c1OCCC2
InChIInChI=1S/C18H19NO/c1-2-8-15-14(5-1)11-19-12-17(15)16-9-3-6-13-7-4-10-20-18(13)16/h1-3,5-6,8-9,17,19H,4,7,10-12H2
InChIKeyDEPOZPDLOXTWHK-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81057890
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
CID 114747092
4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 116545643
(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394396
tris(3,4-dihydro-2H-chromen-8-yl)phosphane
CID 87299813
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
4-chloro-1,2,3,4-tetrahydroisoquinoline
CID 91517111
3-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidine
CID 106781652
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline (CID 106781460) is 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2c1cccc2c1OCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DEPOZPDLOXTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-8-15-14(5-1)11-19-12-17(15)16-9-3-6-13-7-4-10-20-18(13)16/h1-3,5-6,8-9,17,19H,4,7,10-12H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).