(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline

C21H25N — CID 156900762

IUPAC(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline
SMILESCCC[C@@H]1c2ccc(C)cc2C(c2cccc(C)c2)=NC1C
InChIInChI=1S/C21H25N/c1-5-7-18-16(4)22-21(17-9-6-8-14(2)12-17)20-13-15(3)10-11-19(18)20/h6,8-13,16,18H,5,7H2,1-4H3/t16?,18-/m0/s1
InChIKeyFABLERHTNAANSN-DAFXYXGESA-N
MW291.44 g/mol
LogP5.43
Rot. Bonds3

About (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline

(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline (PubChem CID 156900762) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline
PubChem CID156900762
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline
SMILESCCC[C@@H]1c2ccc(C)cc2C(c2cccc(C)c2)=NC1C
InChIInChI=1S/C21H25N/c1-5-7-18-16(4)22-21(17-9-6-8-14(2)12-17)20-13-15(3)10-11-19(18)20/h6,8-13,16,18H,5,7H2,1-4H3/t16?,18-/m0/s1
InChIKeyFABLERHTNAANSN-DAFXYXGESA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;methane;1,3-xylene;1,4-xylene
CID 159094623
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
CID 3068648
butane;4-(3-methylphenyl)pyridine
CID 155692257
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
ethane;propane;1,3-xylene
CID 144528046
4-methyl-2-(3-methylphenyl)-1-[2-(3-methylphenyl)phenyl]benzene
CID 58892355
6,9-dimethyl-1-phenyl-9H-fluorene
CID 162012318
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;methylcyclopropane;1,3-xylene
CID 142338532
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009

Frequently Asked Questions

What is the IUPAC name of (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline?
The IUPAC name of (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline (CID 156900762) is (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline.
What is the SMILES notation for (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline?
The canonical SMILES for (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline is CCC[C@@H]1c2ccc(C)cc2C(c2cccc(C)c2)=NC1C.
What is the InChIKey of (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline?
The InChIKey is FABLERHTNAANSN-DAFXYXGESA-N. The full InChI is InChI=1S/C21H25N/c1-5-7-18-16(4)22-21(17-9-6-8-14(2)12-17)20-13-15(3)10-11-19(18)20/h6,8-13,16,18H,5,7H2,1-4H3/t16?,18-/m0/s1.
What are the key properties of (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline?
(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline has a molecular weight of 291.44 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 156900762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).