1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C14H15NO — CID 15056816

IUPAC1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1c1ccco1
InChIInChI=1S/C14H15NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-7,10,14H,8-9H2,1H3
InChIKeyQNHCKZMAGAEQNN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.86
Rot. Bonds1

About 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 15056816) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID15056816
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1c1ccco1
InChIInChI=1S/C14H15NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-7,10,14H,8-9H2,1H3
InChIKeyQNHCKZMAGAEQNN-UHFFFAOYSA-N
XLogP2.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
1-cyclohexa-1,2,3,5-tetraen-1-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 143478570
benzyl 1-(furan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166559307
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869361
2-[[1-(4-ethyl-2-pyridinyl)tetrazol-5-yl]methyl]-1-(furan-2-yl)-3,4-dihydro-1H-isoquinoline
CID 3697539
furan-2-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 42691571
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol
CID 53392135
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 15056816) is 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QNHCKZMAGAEQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-7,10,14H,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15056816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).