4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline

C12H17N — CID 22978924

IUPAC4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)C(C)(C)CNC2
InChIInChI=1S/C12H17N/c1-9-4-5-10-7-13-8-12(2,3)11(10)6-9/h4-6,13H,7-8H2,1-3H3
InChIKeyPOFQGUSNIMJBRK-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.38
Rot. Bonds

About 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline

4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline (PubChem CID 22978924) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
PubChem CID22978924
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)C(C)(C)CNC2
InChIInChI=1S/C12H17N/c1-9-4-5-10-7-13-8-12(2,3)11(10)6-9/h4-6,13H,7-8H2,1-3H3
InChIKeyPOFQGUSNIMJBRK-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
4,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1H-isoquinoline
CID 138530647
4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
CID 10997784
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
CID 104696992
4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
CID 58117497
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84720142
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 58285092
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline?
The IUPAC name of 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline (CID 22978924) is 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline.
What is the SMILES notation for 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline?
The canonical SMILES for 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline is Cc1ccc2c(c1)C(C)(C)CNC2.
What is the InChIKey of 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline?
The InChIKey is POFQGUSNIMJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-4-5-10-7-13-8-12(2,3)11(10)6-9/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline?
4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline has a molecular weight of 175.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline is sourced from PubChem (CID 22978924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).