2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline

C20H25NO — CID 110457325

IUPAC2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCCN2Cc3ccccc3C(C)C2)cc1
InChIInChI=1S/C20H25NO/c1-16-14-21(15-18-7-3-4-8-20(16)18)13-5-6-17-9-11-19(22-2)12-10-17/h3-4,7-12,16H,5-6,13-15H2,1-2H3
InChIKeyCPUAFAPAQWTCNH-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.25
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline

2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 110457325) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID110457325
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCCN2Cc3ccccc3C(C)C2)cc1
InChIInChI=1S/C20H25NO/c1-16-14-21(15-18-7-3-4-8-20(16)18)13-5-6-17-9-11-19(22-2)12-10-17/h3-4,7-12,16H,5-6,13-15H2,1-2H3
InChIKeyCPUAFAPAQWTCNH-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxyphenyl)propyl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110457305
2-(4-methoxyphenyl)-1-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750590
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 82581602
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole-1-carbonitrile
CID 118491048
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione
CID 142166984

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline (CID 110457325) is 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline is COc1ccc(CCCN2Cc3ccccc3C(C)C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CPUAFAPAQWTCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16-14-21(15-18-7-3-4-8-20(16)18)13-5-6-17-9-11-19(22-2)12-10-17/h3-4,7-12,16H,5-6,13-15H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline?
2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 295.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110457325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).