5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline

C18H21N — CID 143044741

IUPAC5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline
SMILESCC1c2ccccc2-c2cnccc2C1C(C)(C)C
InChIInChI=1S/C18H21N/c1-12-13-7-5-6-8-14(13)16-11-19-10-9-15(16)17(12)18(2,3)4/h5-12,17H,1-4H3
InChIKeyNOXCHVANCFLXPM-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.00
Rot. Bonds

About 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline

5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline (PubChem CID 143044741) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline.

Molecular Properties

Compound Name5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline
PubChem CID143044741
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline
SMILESCC1c2ccccc2-c2cnccc2C1C(C)(C)C
InChIInChI=1S/C18H21N/c1-12-13-7-5-6-8-14(13)16-11-19-10-9-15(16)17(12)18(2,3)4/h5-12,17H,1-4H3
InChIKeyNOXCHVANCFLXPM-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
CID 125481336
9-(pyridin-4-ylmethyl)-9H-indeno[2,1-c]pyridine
CID 67809624
7,8-ditert-butyl-5,6,7,8-tetrahydroisoquinoline
CID 139483291
3-(9H-fluoren-9-ylmethyl)pyridine
CID 141318788
9-deuterio-9-methylfluorene
CID 169301704
CID 11112856
CID 11112856
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline?
The IUPAC name of 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline (CID 143044741) is 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline.
What is the SMILES notation for 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline?
The canonical SMILES for 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline is CC1c2ccccc2-c2cnccc2C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline?
The InChIKey is NOXCHVANCFLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-13-7-5-6-8-14(13)16-11-19-10-9-15(16)17(12)18(2,3)4/h5-12,17H,1-4H3.
What are the key properties of 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline?
5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methyl-5,6-dihydrobenzo[h]isoquinoline is sourced from PubChem (CID 143044741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).