1-methyl-3,4-dihydroisoquinoline tetrafluoroborate

C10H11BF4N- — CID 174929053

IUPAC1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
SMILESCC1=NCCc2ccccc21.F[B-](F)(F)F
InChIInChI=1S/C10H11N.BF4/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1(3,4)5/h2-5H,6-7H2,1H3;/q;-1
InChIKeyAZVSQBTVMQTHEK-UHFFFAOYSA-N
MW232.01 g/mol
LogP3.35
Rot. Bonds

About 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate

1-methyl-3,4-dihydroisoquinoline tetrafluoroborate (PubChem CID 174929053) has the molecular formula C10H11BF4N- and a molecular weight of 232.01 g/mol. Its IUPAC name is 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate.

Molecular Properties

Compound Name1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
PubChem CID174929053
Molecular FormulaC10H11BF4N-
Molecular Weight232.01 g/mol
Exact Mass232.09
IUPAC Name1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
SMILESCC1=NCCc2ccccc21.F[B-](F)(F)F
InChIInChI=1S/C10H11N.BF4/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1(3,4)5/h2-5H,6-7H2,1H3;/q;-1
InChIKeyAZVSQBTVMQTHEK-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.01
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1H-isoindole
CID 12518873
7-fluoro-1-methyl-3,4-dihydroisoquinoline
CID 18613806
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
1-cyclopenta-2,4-dien-1-ylideneethyl acetate;ethane;1-methyl-3,4-dihydroisoquinoline
CID 169248931
1-prop-1-en-2-yl-3,4-dihydroisoquinoline
CID 175704614
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
1-(3,4-dihydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 11241375
(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
CID 135478442
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
CID 141220935
1-[(4-methylphenyl)methyl]-3,4-dihydroisoquinoline
CID 12950081
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
CID 87522084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate?
The IUPAC name of 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate (CID 174929053) is 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate.
What is the SMILES notation for 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate?
The canonical SMILES for 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate is CC1=NCCc2ccccc21.F[B-](F)(F)F.
What is the InChIKey of 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate?
The InChIKey is AZVSQBTVMQTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.BF4/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1(3,4)5/h2-5H,6-7H2,1H3;/q;-1.
What are the key properties of 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate?
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate has a molecular weight of 232.01 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydroisoquinoline tetrafluoroborate is sourced from PubChem (CID 174929053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).