7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

C20H25N — CID 24901521

IUPAC7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(C(C)C)CC2c1ccccc1
InChIInChI=1S/C20H25N/c1-14(2)21-12-19-16(4)15(3)10-11-18(19)20(13-21)17-8-6-5-7-9-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyZFXCLXGEFWLVGL-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.66
Rot. Bonds2

About 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 24901521) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID24901521
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(C(C)C)CC2c1ccccc1
InChIInChI=1S/C20H25N/c1-14(2)21-12-19-16(4)15(3)10-11-18(19)20(13-21)17-8-6-5-7-9-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyZFXCLXGEFWLVGL-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phencyclidine
CID 6468
Cyclizine
CID 6726
Butenafine
CID 2484
Naftifine
CID 47641
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Butenafine Hydrochloride
CID 443867
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 100137
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
Piperidine, 1-(4-methyl-1-phenylcyclohexyl)-, TR
CID 210766
(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 1382087
7-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 13805378

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 24901521) is 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1C)CN(C(C)C)CC2c1ccccc1.
What is the InChIKey of 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZFXCLXGEFWLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)21-12-19-16(4)15(3)10-11-18(19)20(13-21)17-8-6-5-7-9-17/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 279.43 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-phenyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 24901521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).