3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline

C18H19NO — CID 123488920

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC(c1ccc3c(c1)CCCO3)C2
InChIInChI=1S/C18H19NO/c1-2-5-16-12-19-17(11-13(16)4-1)14-7-8-18-15(10-14)6-3-9-20-18/h1-2,4-5,7-8,10,17,19H,3,6,9,11-12H2
InChIKeyAQHPITCLVHFDHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.40
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline

3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 123488920) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID123488920
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC(c1ccc3c(c1)CCCO3)C2
InChIInChI=1S/C18H19NO/c1-2-5-16-12-19-17(11-13(16)4-1)14-7-8-18-15(10-14)6-3-9-20-18/h1-2,4-5,7-8,10,17,19H,3,6,9,11-12H2
InChIKeyAQHPITCLVHFDHT-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
2-(3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-2H-chromene
CID 173011896
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium
CID 16658319
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
CID 155185600
3,4-dihydro-2H-chromene;ethane
CID 91076984
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
3,4-dihydro-2H-chromene;naphthalene
CID 144745299

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 123488920) is 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNC(c1ccc3c(c1)CCCO3)C2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AQHPITCLVHFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-5-16-12-19-17(11-13(16)4-1)14-7-8-18-15(10-14)6-3-9-20-18/h1-2,4-5,7-8,10,17,19H,3,6,9,11-12H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 123488920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).