3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline

C14H15N — CID 59069699

IUPAC3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline
SMILESCN1CC=C2c3ccccc3C=CC2C1
InChIInChI=1S/C14H15N/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14/h2-8,12H,9-10H2,1H3
InChIKeyMWVGQMJXULIVOQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.66
Rot. Bonds

About 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline

3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline (PubChem CID 59069699) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline.

Molecular Properties

Compound Name3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline
PubChem CID59069699
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline
SMILESCN1CC=C2c3ccccc3C=CC2C1
InChIInChI=1S/C14H15N/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14/h2-8,12H,9-10H2,1H3
InChIKeyMWVGQMJXULIVOQ-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine
CID 166138107
1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
CID 15818607
3-methyl-2,4,4a,10b-tetrahydro-1H-benzo[f]isoquinoline
CID 12851047
(3R)-3-amino-2,3,5,5a-tetrahydrobenzo[g][1]benzazepin-4-one
CID 20641425
(5Z)-3,6-dimethyl-2,4-dihydro-1,3-benzoxazocine
CID 100979156
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine
CID 171382282
3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane
CID 178009673
(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene
CID 54351929
1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole
CID 167578402
3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 155085416
(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
CID 130653450
12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline?
The IUPAC name of 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline (CID 59069699) is 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline.
What is the SMILES notation for 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline?
The canonical SMILES for 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline is CN1CC=C2c3ccccc3C=CC2C1.
What is the InChIKey of 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline?
The InChIKey is MWVGQMJXULIVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14/h2-8,12H,9-10H2,1H3.
What are the key properties of 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline?
3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline has a molecular weight of 197.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline is sourced from PubChem (CID 59069699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).