1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C14H15NO — CID 83175633

IUPAC1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1coc(CC2NCCc3ccccc32)c1
InChIInChI=1S/C14H15NO/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16-12/h1-6,9,14-15H,7-8,10H2
InChIKeyGAPCLRRXGDHVFW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.71
Rot. Bonds2

About 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83175633) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83175633
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1coc(CC2NCCc3ccccc32)c1
InChIInChI=1S/C14H15NO/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16-12/h1-6,9,14-15H,7-8,10H2
InChIKeyGAPCLRRXGDHVFW-UHFFFAOYSA-N
XLogP2.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
(1S)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 59396651
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869361
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
2-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 126460273
1-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 82922334
5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole
CID 18536681
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83175633) is 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1coc(CC2NCCc3ccccc32)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GAPCLRRXGDHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16-12/h1-6,9,14-15H,7-8,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83175633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).